7AP5

Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome.

PDB DOI: https://doi.org/10.2210/pdb7AP5/pdb

Classification: PHOTOSYNTHESIS
Organism(s): Nostoc sp. WR13
Mutation(s): No

Deposited: 2020-10-15 Released: 2021-11-17
Deposition Author(s): Patel, H.M., Roszak, A.W., Cogdell, R.J., Madamwar, D., Liu, H., Gross, M.L., Blankenship, R.E.
Funding Organization(s): Department of Energy (DOE, United States), Department of Biotechnology (DBT, India)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.13 ?
R-Value Free:
0.225 (Depositor), 0.230 (DCC)
R-Value Work:
0.177 (Depositor), 0.190 (DCC)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome

Patel, H.M., Roszak, A.W., Liu, H., Gross, M.L., Blankenship, R.E., Madamwar, D., Cogdell, R.J.

To be published.

Macromolecule Content

Total Structure Weight: 355.85 kDa
Atom Count: 26,483
Modelled Residue Count: 2,784
Deposited Residue Count: 2,784
Unique protein chains: 2

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Alpha subunit of cyanobacterial protein phycoerythrin	A [auth AAA] C [auth CCC] E [auth EEE] G [auth GGG] I [auth III] A [auth AAA], C [auth CCC], E [auth EEE], G [auth GGG], I [auth III], K [auth KKK], M [auth MMM], O [auth OOO]	164	Nostoc sp. WR13	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Beta subunit of cyanobacterial protein phycoerythrin	B [auth BBB] D [auth DDD] F [auth FFF] H [auth HHH] J [auth JJJ] B [auth BBB], D [auth DDD], F [auth FFF], H [auth HHH], J [auth JJJ], L [auth LLL], N [auth NNN], P [auth PPP]	184	Nostoc sp. WR13	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 13 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PEB (Subject of Investigation/LOI) Query on PEB Download Ideal Coordinates CCD File SDF format, chain AC [auth DDD] SDF format, chain AD [auth EEE] SDF format, chain AH [auth JJJ] SDF format, chain BC [auth DDD] SDF format, chain BD [auth EEE] SDF format, chain EB [auth CCC] SDF format, chain EF [auth HHH] SDF format, chain FB [auth CCC] SDF format, chain FF [auth HHH] SDF format, chain FG [auth III] SDF format, chain GF [auth HHH] SDF format, chain GG [auth III] SDF format, chain GL [auth PPP] SDF format, chain HA [auth BBB] SDF format, chain HL [auth PPP] SDF format, chain IA [auth BBB] SDF format, chain IL [auth PPP] SDF format, chain JA [auth BBB] SDF format, chain JI [auth LLL] SDF format, chain JJ [auth MMM] SDF format, chain KI [auth LLL] SDF format, chain KJ [auth MMM] SDF format, chain LI [auth LLL] SDF format, chain ME [auth GGG] SDF format, chain Q [auth AAA] SDF format, chain QD [auth FFF] SDF format, chain R [auth AAA] SDF format, chain RD [auth FFF] SDF format, chain SD [auth FFF] SDF format, chain SH [auth KKK] SDF format, chain TH [auth KKK] SDF format, chain TK [auth OOO] SDF format, chain UK [auth OOO] SDF format, chain XJ [auth NNN] SDF format, chain YJ [auth NNN] SDF format, chain ZG [auth JJJ] SDF format, chain ZJ [auth NNN] SDF format, chain NE [auth GGG] SDF format, chain YG [auth JJJ] SDF format, chain ZB [auth DDD] MOL2 format, chain AC [auth DDD] MOL2 format, chain AD [auth EEE] MOL2 format, chain AH [auth JJJ] MOL2 format, chain BC [auth DDD] MOL2 format, chain BD [auth EEE] MOL2 format, chain EB [auth CCC] MOL2 format, chain EF [auth HHH] MOL2 format, chain FB [auth CCC] MOL2 format, chain FF [auth HHH] MOL2 format, chain FG [auth III] MOL2 format, chain GF [auth HHH] MOL2 format, chain GG [auth III] MOL2 format, chain GL [auth PPP] MOL2 format, chain HA [auth BBB] MOL2 format, chain HL [auth PPP] MOL2 format, chain IA [auth BBB] MOL2 format, chain IL [auth PPP] MOL2 format, chain JA [auth BBB] MOL2 format, chain JI [auth LLL] MOL2 format, chain JJ [auth MMM] MOL2 format, chain KI [auth LLL] MOL2 format, chain KJ [auth MMM] MOL2 format, chain LI [auth LLL] MOL2 format, chain ME [auth GGG] MOL2 format, chain Q [auth AAA] MOL2 format, chain QD [auth FFF] MOL2 format, chain R [auth AAA] MOL2 format, chain RD [auth FFF] MOL2 format, chain SD [auth FFF] MOL2 format, chain SH [auth KKK] MOL2 format, chain TH [auth KKK] MOL2 format, chain TK [auth OOO] MOL2 format, chain UK [auth OOO] MOL2 format, chain XJ [auth NNN] MOL2 format, chain YJ [auth NNN] MOL2 format, chain ZG [auth JJJ] MOL2 format, chain ZJ [auth NNN] MOL2 format, chain NE [auth GGG] MOL2 format, chain YG [auth JJJ] MOL2 format, chain ZB [auth DDD] mmCIF format, chain AC [auth DDD] mmCIF format, chain AD [auth EEE] mmCIF format, chain AH [auth JJJ] mmCIF format, chain BC [auth DDD] mmCIF format, chain BD [auth EEE] mmCIF format, chain EB [auth CCC] mmCIF format, chain EF [auth HHH] mmCIF format, chain FB [auth CCC] mmCIF format, chain FF [auth HHH] mmCIF format, chain FG [auth III] mmCIF format, chain GF [auth HHH] mmCIF format, chain GG [auth III] mmCIF format, chain GL [auth PPP] mmCIF format, chain HA [auth BBB] mmCIF format, chain HL [auth PPP] mmCIF format, chain IA [auth BBB] mmCIF format, chain IL [auth PPP] mmCIF format, chain JA [auth BBB] mmCIF format, chain JI [auth LLL] mmCIF format, chain JJ [auth MMM] mmCIF format, chain KI [auth LLL] mmCIF format, chain KJ [auth MMM] mmCIF format, chain LI [auth LLL] mmCIF format, chain ME [auth GGG] mmCIF format, chain Q [auth AAA] mmCIF format, chain QD [auth FFF] mmCIF format, chain R [auth AAA] mmCIF format, chain RD [auth FFF] mmCIF format, chain SD [auth FFF] mmCIF format, chain SH [auth KKK] mmCIF format, chain TH [auth KKK] mmCIF format, chain TK [auth OOO] mmCIF format, chain UK [auth OOO] mmCIF format, chain XJ [auth NNN] mmCIF format, chain YJ [auth NNN] mmCIF format, chain ZG [auth JJJ] mmCIF format, chain ZJ [auth NNN] mmCIF format, chain NE [auth GGG] mmCIF format, chain YG [auth JJJ] mmCIF format, chain ZB [auth DDD]	AC [auth DDD] AD [auth EEE] AH [auth JJJ] BC [auth DDD] BD [auth EEE] AC [auth DDD], AD [auth EEE], AH [auth JJJ], BC [auth DDD], BD [auth EEE], EB [auth CCC], EF [auth HHH], FB [auth CCC], FF [auth HHH], FG [auth III], GF [auth HHH], GG [auth III], GL [auth PPP], HA [auth BBB], HL [auth PPP], IA [auth BBB], IL [auth PPP], JA [auth BBB], JI [auth LLL], JJ [auth MMM], KI [auth LLL], KJ [auth MMM], LI [auth LLL], ME [auth GGG], NE [auth GGG], Q [auth AAA], QD [auth FFF], R [auth AAA], RD [auth FFF], SD [auth FFF], SH [auth KKK], TH [auth KKK], TK [auth OOO], UK [auth OOO], XJ [auth NNN], YG [auth JJJ], YJ [auth NNN], ZB [auth DDD], ZG [auth JJJ], ZJ [auth NNN]	PHYCOERYTHROBILIN C₃₃ H₄₀ N₄ O₆ NKCBCVIFPXGHAV-WAVSMFBNSA-N		Interactions Focus chain AC [auth DDD] Focus chain AD [auth EEE] Focus chain AH [auth JJJ] Focus chain BC [auth DDD] Focus chain BD [auth EEE] Focus chain EB [auth CCC] Focus chain EF [auth HHH] Focus chain FB [auth CCC] Focus chain FF [auth HHH] Focus chain FG [auth III] Focus chain GF [auth HHH] Focus chain GG [auth III] Focus chain GL [auth PPP] Focus chain HA [auth BBB] Focus chain HL [auth PPP] Focus chain IA [auth BBB] Focus chain IL [auth PPP] Focus chain JA [auth BBB] Focus chain JI [auth LLL] Focus chain JJ [auth MMM] Focus chain KI [auth LLL] Focus chain KJ [auth MMM] Focus chain LI [auth LLL] Focus chain ME [auth GGG] Focus chain NE [auth GGG] Focus chain Q [auth AAA] Focus chain QD [auth FFF] Focus chain R [auth AAA] Focus chain RD [auth FFF] Focus chain SD [auth FFF] Focus chain SH [auth KKK] Focus chain TH [auth KKK] Focus chain TK [auth OOO] Focus chain UK [auth OOO] Focus chain XJ [auth NNN] Focus chain YG [auth JJJ] Focus chain YJ [auth NNN] Focus chain ZB [auth DDD] Focus chain ZG [auth JJJ] Focus chain ZJ [auth NNN] Interactions & Density Focus chain AC [auth DDD] Focus chain AD [auth EEE] Focus chain AH [auth JJJ] Focus chain BC [auth DDD] Focus chain BD [auth EEE] Focus chain EB [auth CCC] Focus chain EF [auth HHH] Focus chain FB [auth CCC] Focus chain FF [auth HHH] Focus chain FG [auth III] Focus chain GF [auth HHH] Focus chain GG [auth III] Focus chain GL [auth PPP] Focus chain HA [auth BBB] Focus chain HL [auth PPP] Focus chain IA [auth BBB] Focus chain IL [auth PPP] Focus chain JA [auth BBB] Focus chain JI [auth LLL] Focus chain JJ [auth MMM] Focus chain KI [auth LLL] Focus chain KJ [auth MMM] Focus chain LI [auth LLL] Focus chain ME [auth GGG] Focus chain NE [auth GGG] Focus chain Q [auth AAA] Focus chain QD [auth FFF] Focus chain R [auth AAA] Focus chain RD [auth FFF] Focus chain SD [auth FFF] Focus chain SH [auth KKK] Focus chain TH [auth KKK] Focus chain TK [auth OOO] Focus chain UK [auth OOO] Focus chain XJ [auth NNN] Focus chain YG [auth JJJ] Focus chain YJ [auth NNN] Focus chain ZB [auth DDD] Focus chain ZG [auth JJJ] Focus chain ZJ [auth NNN]
RWB Query on RWB Download Ideal Coordinates CCD File SDF format, chain KA [auth BBB] SDF format, chain MI [auth LLL] MOL2 format, chain KA [auth BBB] MOL2 format, chain MI [auth LLL] mmCIF format, chain KA [auth BBB] mmCIF format, chain MI [auth LLL]	KA [auth BBB], MI [auth LLL]	dodecaethylene glycol monomethyl ether C₂₅ H₅₂ O₁₃ PLQZJIIDLZRWBG-UHFFFAOYSA-N		Interactions Focus chain KA [auth BBB] Focus chain MI [auth LLL] Interactions & Density Focus chain KA [auth BBB] Focus chain MI [auth LLL]
PE5 Query on PE5 Download Ideal Coordinates CCD File SDF format, chain AK [auth NNN] MOL2 format, chain AK [auth NNN] mmCIF format, chain AK [auth NNN]	AK [auth NNN]	3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL C₁₈ H₃₈ O₉ CUDPPTPIUWYGFI-UHFFFAOYSA-N		Interactions Focus chain AK [auth NNN] Interactions & Density Focus chain AK [auth NNN]
PE8 Query on PE8 Download Ideal Coordinates CCD File SDF format, chain LA [auth BBB] MOL2 format, chain LA [auth BBB] mmCIF format, chain LA [auth BBB]	LA [auth BBB]	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL C₁₆ H₃₄ O₉ GLZWNFNQMJAZGY-UHFFFAOYSA-N		Interactions Focus chain LA [auth BBB] Interactions & Density Focus chain LA [auth BBB]
P33 Query on P33 Download Ideal Coordinates CCD File SDF format, chain BH [auth JJJ] SDF format, chain CC [auth DDD] SDF format, chain DC [auth DDD] SDF format, chain HF [auth HHH] SDF format, chain IF [auth HHH] SDF format, chain TD [auth FFF] MOL2 format, chain BH [auth JJJ] MOL2 format, chain CC [auth DDD] MOL2 format, chain DC [auth DDD] MOL2 format, chain HF [auth HHH] MOL2 format, chain IF [auth HHH] MOL2 format, chain TD [auth FFF] mmCIF format, chain BH [auth JJJ] mmCIF format, chain CC [auth DDD] mmCIF format, chain DC [auth DDD] mmCIF format, chain HF [auth HHH] mmCIF format, chain IF [auth HHH] mmCIF format, chain TD [auth FFF]	BH [auth JJJ] CC [auth DDD] DC [auth DDD] HF [auth HHH] IF [auth HHH] BH [auth JJJ], CC [auth DDD], DC [auth DDD], HF [auth HHH], IF [auth HHH], TD [auth FFF]	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL C₁₄ H₃₀ O₈ XPJRQAIZZQMSCM-UHFFFAOYSA-N		Interactions Focus chain BH [auth JJJ] Focus chain CC [auth DDD] Focus chain DC [auth DDD] Focus chain HF [auth HHH] Focus chain IF [auth HHH] Focus chain TD [auth FFF] Interactions & Density Focus chain BH [auth JJJ] Focus chain CC [auth DDD] Focus chain DC [auth DDD] Focus chain HF [auth HHH] Focus chain IF [auth HHH] Focus chain TD [auth FFF]
P6G Query on P6G Download Ideal Coordinates CCD File SDF format, chain EC [auth DDD] MOL2 format, chain EC [auth DDD] mmCIF format, chain EC [auth DDD]	EC [auth DDD]	HEXAETHYLENE GLYCOL C₁₂ H₂₆ O₇ IIRDTKBZINWQAW-UHFFFAOYSA-N		Interactions Focus chain EC [auth DDD] Interactions & Density Focus chain EC [auth DDD]
1PE Query on 1PE Download Ideal Coordinates CCD File SDF format, chain CD [auth EEE] SDF format, chain CH [auth JJJ] SDF format, chain DH [auth JJJ] SDF format, chain FC [auth DDD] SDF format, chain JL [auth PPP] SDF format, chain MA [auth BBB] SDF format, chain NA [auth BBB] SDF format, chain ND [auth FFF] SDF format, chain OA [auth BBB] SDF format, chain DF [auth HHH] SDF format, chain NI [auth LLL] SDF format, chain XG [auth JJJ] MOL2 format, chain CD [auth EEE] MOL2 format, chain CH [auth JJJ] MOL2 format, chain DH [auth JJJ] MOL2 format, chain FC [auth DDD] MOL2 format, chain JL [auth PPP] MOL2 format, chain MA [auth BBB] MOL2 format, chain NA [auth BBB] MOL2 format, chain ND [auth FFF] MOL2 format, chain OA [auth BBB] MOL2 format, chain DF [auth HHH] MOL2 format, chain NI [auth LLL] MOL2 format, chain XG [auth JJJ] mmCIF format, chain CD [auth EEE] mmCIF format, chain CH [auth JJJ] mmCIF format, chain DH [auth JJJ] mmCIF format, chain FC [auth DDD] mmCIF format, chain JL [auth PPP] mmCIF format, chain MA [auth BBB] mmCIF format, chain NA [auth BBB] mmCIF format, chain ND [auth FFF] mmCIF format, chain OA [auth BBB] mmCIF format, chain DF [auth HHH] mmCIF format, chain NI [auth LLL] mmCIF format, chain XG [auth JJJ]	CD [auth EEE] CH [auth JJJ] DF [auth HHH] DH [auth JJJ] FC [auth DDD] CD [auth EEE], CH [auth JJJ], DF [auth HHH], DH [auth JJJ], FC [auth DDD], JL [auth PPP], MA [auth BBB], NA [auth BBB], ND [auth FFF], NI [auth LLL], OA [auth BBB], XG [auth JJJ]	PENTAETHYLENE GLYCOL C₁₀ H₂₂ O₆ JLFNLZLINWHATN-UHFFFAOYSA-N		Interactions Focus chain CD [auth EEE] Focus chain CH [auth JJJ] Focus chain DF [auth HHH] Focus chain DH [auth JJJ] Focus chain FC [auth DDD] Focus chain JL [auth PPP] Focus chain MA [auth BBB] Focus chain NA [auth BBB] Focus chain ND [auth FFF] Focus chain NI [auth LLL] Focus chain OA [auth BBB] Focus chain XG [auth JJJ] Interactions & Density Focus chain CD [auth EEE] Focus chain CH [auth JJJ] Focus chain DF [auth HHH] Focus chain DH [auth JJJ] Focus chain FC [auth DDD] Focus chain JL [auth PPP] Focus chain MA [auth BBB] Focus chain NA [auth BBB] Focus chain ND [auth FFF] Focus chain NI [auth LLL] Focus chain OA [auth BBB] Focus chain XG [auth JJJ]
PG4 Query on PG4 Download Ideal Coordinates CCD File SDF format, chain BK [auth NNN] SDF format, chain CK [auth NNN] SDF format, chain DK [auth NNN] SDF format, chain EH [auth JJJ] SDF format, chain GB [auth CCC] SDF format, chain GC [auth DDD] SDF format, chain HC [auth DDD] SDF format, chain JF [auth HHH] SDF format, chain KF [auth HHH] SDF format, chain KL [auth PPP] SDF format, chain LJ [auth MMM] SDF format, chain MJ [auth MMM] SDF format, chain NJ [auth MMM] SDF format, chain OD [auth FFF] SDF format, chain OE [auth GGG] SDF format, chain OI [auth LLL] SDF format, chain PE [auth GGG] SDF format, chain PI [auth LLL] SDF format, chain QE [auth GGG] SDF format, chain QI [auth LLL] SDF format, chain T [auth AAA] SDF format, chain U [auth AAA] SDF format, chain UH [auth KKK] SDF format, chain UJ [auth MMM] SDF format, chain VD [auth FFF] SDF format, chain VH [auth KKK] SDF format, chain VJ [auth NNN] SDF format, chain WD [auth FFF] SDF format, chain WH [auth KKK] SDF format, chain WJ [auth NNN] SDF format, chain LL [auth PPP] SDF format, chain S [auth AAA] SDF format, chain UD [auth FFF] SDF format, chain VK [auth OOO] MOL2 format, chain BK [auth NNN] MOL2 format, chain CK [auth NNN] MOL2 format, chain DK [auth NNN] MOL2 format, chain EH [auth JJJ] MOL2 format, chain GB [auth CCC] MOL2 format, chain GC [auth DDD] MOL2 format, chain HC [auth DDD] MOL2 format, chain JF [auth HHH] MOL2 format, chain KF [auth HHH] MOL2 format, chain KL [auth PPP] MOL2 format, chain LJ [auth MMM] MOL2 format, chain MJ [auth MMM] MOL2 format, chain NJ [auth MMM] MOL2 format, chain OD [auth FFF] MOL2 format, chain OE [auth GGG] MOL2 format, chain OI [auth LLL] MOL2 format, chain PE [auth GGG] MOL2 format, chain PI [auth LLL] MOL2 format, chain QE [auth GGG] MOL2 format, chain QI [auth LLL] MOL2 format, chain T [auth AAA] MOL2 format, chain U [auth AAA] MOL2 format, chain UH [auth KKK] MOL2 format, chain UJ [auth MMM] MOL2 format, chain VD [auth FFF] MOL2 format, chain VH [auth KKK] MOL2 format, chain VJ [auth NNN] MOL2 format, chain WD [auth FFF] MOL2 format, chain WH [auth KKK] MOL2 format, chain WJ [auth NNN] MOL2 format, chain LL [auth PPP] MOL2 format, chain S [auth AAA] MOL2 format, chain UD [auth FFF] MOL2 format, chain VK [auth OOO] mmCIF format, chain BK [auth NNN] mmCIF format, chain CK [auth NNN] mmCIF format, chain DK [auth NNN] mmCIF format, chain EH [auth JJJ] mmCIF format, chain GB [auth CCC] mmCIF format, chain GC [auth DDD] mmCIF format, chain HC [auth DDD] mmCIF format, chain JF [auth HHH] mmCIF format, chain KF [auth HHH] mmCIF format, chain KL [auth PPP] mmCIF format, chain LJ [auth MMM] mmCIF format, chain MJ [auth MMM] mmCIF format, chain NJ [auth MMM] mmCIF format, chain OD [auth FFF] mmCIF format, chain OE [auth GGG] mmCIF format, chain OI [auth LLL] mmCIF format, chain PE [auth GGG] mmCIF format, chain PI [auth LLL] mmCIF format, chain QE [auth GGG] mmCIF format, chain QI [auth LLL] mmCIF format, chain T [auth AAA] mmCIF format, chain U [auth AAA] mmCIF format, chain UH [auth KKK] mmCIF format, chain UJ [auth MMM] mmCIF format, chain VD [auth FFF] mmCIF format, chain VH [auth KKK] mmCIF format, chain VJ [auth NNN] mmCIF format, chain WD [auth FFF] mmCIF format, chain WH [auth KKK] mmCIF format, chain WJ [auth NNN] mmCIF format, chain LL [auth PPP] mmCIF format, chain S [auth AAA] mmCIF format, chain UD [auth FFF] mmCIF format, chain VK [auth OOO]	BK [auth NNN] CK [auth NNN] DK [auth NNN] EH [auth JJJ] GB [auth CCC] BK [auth NNN], CK [auth NNN], DK [auth NNN], EH [auth JJJ], GB [auth CCC], GC [auth DDD], HC [auth DDD], JF [auth HHH], KF [auth HHH], KL [auth PPP], LJ [auth MMM], LL [auth PPP], MJ [auth MMM], NJ [auth MMM], OD [auth FFF], OE [auth GGG], OI [auth LLL], PE [auth GGG], PI [auth LLL], QE [auth GGG], QI [auth LLL], S [auth AAA], T [auth AAA], U [auth AAA], UD [auth FFF], UH [auth KKK], UJ [auth MMM], VD [auth FFF], VH [auth KKK], VJ [auth NNN], VK [auth OOO], WD [auth FFF], WH [auth KKK], WJ [auth NNN]	TETRAETHYLENE GLYCOL C₈ H₁₈ O₅ UWHCKJMYHZGTIT-UHFFFAOYSA-N		Interactions Focus chain BK [auth NNN] Focus chain CK [auth NNN] Focus chain DK [auth NNN] Focus chain EH [auth JJJ] Focus chain GB [auth CCC] Focus chain GC [auth DDD] Focus chain HC [auth DDD] Focus chain JF [auth HHH] Focus chain KF [auth HHH] Focus chain KL [auth PPP] Focus chain LJ [auth MMM] Focus chain LL [auth PPP] Focus chain MJ [auth MMM] Focus chain NJ [auth MMM] Focus chain OD [auth FFF] Focus chain OE [auth GGG] Focus chain OI [auth LLL] Focus chain PE [auth GGG] Focus chain PI [auth LLL] Focus chain QE [auth GGG] Focus chain QI [auth LLL] Focus chain S [auth AAA] Focus chain T [auth AAA] Focus chain U [auth AAA] Focus chain UD [auth FFF] Focus chain UH [auth KKK] Focus chain UJ [auth MMM] Focus chain VD [auth FFF] Focus chain VH [auth KKK] Focus chain VJ [auth NNN] Focus chain VK [auth OOO] Focus chain WD [auth FFF] Focus chain WH [auth KKK] Focus chain WJ [auth NNN] Interactions & Density Focus chain BK [auth NNN] Focus chain CK [auth NNN] Focus chain DK [auth NNN] Focus chain EH [auth JJJ] Focus chain GB [auth CCC] Focus chain GC [auth DDD] Focus chain HC [auth DDD] Focus chain JF [auth HHH] Focus chain KF [auth HHH] Focus chain KL [auth PPP] Focus chain LJ [auth MMM] Focus chain LL [auth PPP] Focus chain MJ [auth MMM] Focus chain NJ [auth MMM] Focus chain OD [auth FFF] Focus chain OE [auth GGG] Focus chain OI [auth LLL] Focus chain PE [auth GGG] Focus chain PI [auth LLL] Focus chain QE [auth GGG] Focus chain QI [auth LLL] Focus chain S [auth AAA] Focus chain T [auth AAA] Focus chain U [auth AAA] Focus chain UD [auth FFF] Focus chain UH [auth KKK] Focus chain UJ [auth MMM] Focus chain VD [auth FFF] Focus chain VH [auth KKK] Focus chain VJ [auth NNN] Focus chain VK [auth OOO] Focus chain WD [auth FFF] Focus chain WH [auth KKK] Focus chain WJ [auth NNN]
PGE Query on PGE Download Ideal Coordinates CCD File SDF format, chain AA [auth AAA] SDF format, chain CB [auth BBB] SDF format, chain CF [auth GGG] SDF format, chain DD [auth EEE] SDF format, chain DG [auth HHH] SDF format, chain ED [auth EEE] SDF format, chain FD [auth EEE] SDF format, chain FH [auth JJJ] SDF format, chain FK [auth NNN] SDF format, chain GD [auth EEE] SDF format, chain GH [auth JJJ] SDF format, chain GK [auth NNN] SDF format, chain HB [auth CCC] SDF format, chain HG [auth III] SDF format, chain HJ [auth LLL] SDF format, chain HK [auth NNN] SDF format, chain IB [auth CCC] SDF format, chain IC [auth DDD] SDF format, chain IG [auth III] SDF format, chain JB [auth CCC] SDF format, chain JC [auth DDD] SDF format, chain JG [auth III] SDF format, chain KB [auth CCC] SDF format, chain KC [auth DDD] SDF format, chain KG [auth III] SDF format, chain LB [auth CCC] SDF format, chain LF [auth HHH] SDF format, chain MF [auth HHH] SDF format, chain ML [auth PPP] SDF format, chain OF [auth HHH] SDF format, chain OJ [auth MMM] SDF format, chain PA [auth BBB] SDF format, chain PF [auth HHH] SDF format, chain PJ [auth MMM] SDF format, chain QA [auth BBB] SDF format, chain RE [auth GGG] SDF format, chain RI [auth LLL] SDF format, chain SE [auth GGG] SDF format, chain SI [auth LLL] SDF format, chain TE [auth GGG] SDF format, chain V [auth AAA] SDF format, chain W [auth AAA] SDF format, chain WG [auth JJJ] SDF format, chain WK [auth OOO] SDF format, chain X [auth AAA] SDF format, chain XD [auth FFF] SDF format, chain XH [auth KKK] SDF format, chain XK [auth OOO] SDF format, chain Y [auth AAA] SDF format, chain YH [auth KKK] SDF format, chain YK [auth OOO] SDF format, chain Z [auth AAA] SDF format, chain ZD [auth FFF] SDF format, chain EK [auth NNN] SDF format, chain IJ [auth LLL] SDF format, chain NF [auth HHH] SDF format, chain YD [auth FFF] MOL2 format, chain AA [auth AAA] MOL2 format, chain CB [auth BBB] MOL2 format, chain CF [auth GGG] MOL2 format, chain DD [auth EEE] MOL2 format, chain DG [auth HHH] MOL2 format, chain ED [auth EEE] MOL2 format, chain FD [auth EEE] MOL2 format, chain FH [auth JJJ] MOL2 format, chain FK [auth NNN] MOL2 format, chain GD [auth EEE] MOL2 format, chain GH [auth JJJ] MOL2 format, chain GK [auth NNN] MOL2 format, chain HB [auth CCC] MOL2 format, chain HG [auth III] MOL2 format, chain HJ [auth LLL] MOL2 format, chain HK [auth NNN] MOL2 format, chain IB [auth CCC] MOL2 format, chain IC [auth DDD] MOL2 format, chain IG [auth III] MOL2 format, chain JB [auth CCC] MOL2 format, chain JC [auth DDD] MOL2 format, chain JG [auth III] MOL2 format, chain KB [auth CCC] MOL2 format, chain KC [auth DDD] MOL2 format, chain KG [auth III] MOL2 format, chain LB [auth CCC] MOL2 format, chain LF [auth HHH] MOL2 format, chain MF [auth HHH] MOL2 format, chain ML [auth PPP] MOL2 format, chain OF [auth HHH] MOL2 format, chain OJ [auth MMM] MOL2 format, chain PA [auth BBB] MOL2 format, chain PF [auth HHH] MOL2 format, chain PJ [auth MMM] MOL2 format, chain QA [auth BBB] MOL2 format, chain RE [auth GGG] MOL2 format, chain RI [auth LLL] MOL2 format, chain SE [auth GGG] MOL2 format, chain SI [auth LLL] MOL2 format, chain TE [auth GGG] MOL2 format, chain V [auth AAA] MOL2 format, chain W [auth AAA] MOL2 format, chain WG [auth JJJ] MOL2 format, chain WK [auth OOO] MOL2 format, chain X [auth AAA] MOL2 format, chain XD [auth FFF] MOL2 format, chain XH [auth KKK] MOL2 format, chain XK [auth OOO] MOL2 format, chain Y [auth AAA] MOL2 format, chain YH [auth KKK] MOL2 format, chain YK [auth OOO] MOL2 format, chain Z [auth AAA] MOL2 format, chain ZD [auth FFF] MOL2 format, chain EK [auth NNN] MOL2 format, chain IJ [auth LLL] MOL2 format, chain NF [auth HHH] MOL2 format, chain YD [auth FFF] mmCIF format, chain AA [auth AAA] mmCIF format, chain CB [auth BBB] mmCIF format, chain CF [auth GGG] mmCIF format, chain DD [auth EEE] mmCIF format, chain DG [auth HHH] mmCIF format, chain ED [auth EEE] mmCIF format, chain FD [auth EEE] mmCIF format, chain FH [auth JJJ] mmCIF format, chain FK [auth NNN] mmCIF format, chain GD [auth EEE] mmCIF format, chain GH [auth JJJ] mmCIF format, chain GK [auth NNN] mmCIF format, chain HB [auth CCC] mmCIF format, chain HG [auth III] mmCIF format, chain HJ [auth LLL] mmCIF format, chain HK [auth NNN] mmCIF format, chain IB [auth CCC] mmCIF format, chain IC [auth DDD] mmCIF format, chain IG [auth III] mmCIF format, chain JB [auth CCC] mmCIF format, chain JC [auth DDD] mmCIF format, chain JG [auth III] mmCIF format, chain KB [auth CCC] mmCIF format, chain KC [auth DDD] mmCIF format, chain KG [auth III] mmCIF format, chain LB [auth CCC] mmCIF format, chain LF [auth HHH] mmCIF format, chain MF [auth HHH] mmCIF format, chain ML [auth PPP] mmCIF format, chain OF [auth HHH] mmCIF format, chain OJ [auth MMM] mmCIF format, chain PA [auth BBB] mmCIF format, chain PF [auth HHH] mmCIF format, chain PJ [auth MMM] mmCIF format, chain QA [auth BBB] mmCIF format, chain RE [auth GGG] mmCIF format, chain RI [auth LLL] mmCIF format, chain SE [auth GGG] mmCIF format, chain SI [auth LLL] mmCIF format, chain TE [auth GGG] mmCIF format, chain V [auth AAA] mmCIF format, chain W [auth AAA] mmCIF format, chain WG [auth JJJ] mmCIF format, chain WK [auth OOO] mmCIF format, chain X [auth AAA] mmCIF format, chain XD [auth FFF] mmCIF format, chain XH [auth KKK] mmCIF format, chain XK [auth OOO] mmCIF format, chain Y [auth AAA] mmCIF format, chain YH [auth KKK] mmCIF format, chain YK [auth OOO] mmCIF format, chain Z [auth AAA] mmCIF format, chain ZD [auth FFF] mmCIF format, chain EK [auth NNN] mmCIF format, chain IJ [auth LLL] mmCIF format, chain NF [auth HHH] mmCIF format, chain YD [auth FFF]	AA [auth AAA] CB [auth BBB] CF [auth GGG] DD [auth EEE] DG [auth HHH] AA [auth AAA], CB [auth BBB], CF [auth GGG], DD [auth EEE], DG [auth HHH], ED [auth EEE], EK [auth NNN], FD [auth EEE], FH [auth JJJ], FK [auth NNN], GD [auth EEE], GH [auth JJJ], GK [auth NNN], HB [auth CCC], HG [auth III], HJ [auth LLL], HK [auth NNN], IB [auth CCC], IC [auth DDD], IG [auth III], IJ [auth LLL], JB [auth CCC], JC [auth DDD], JG [auth III], KB [auth CCC], KC [auth DDD], KG [auth III], LB [auth CCC], LF [auth HHH], MF [auth HHH], ML [auth PPP], NF [auth HHH], OF [auth HHH], OJ [auth MMM], PA [auth BBB], PF [auth HHH], PJ [auth MMM], QA [auth BBB], RE [auth GGG], RI [auth LLL], SE [auth GGG], SI [auth LLL], TE [auth GGG], V [auth AAA], W [auth AAA], WG [auth JJJ], WK [auth OOO], X [auth AAA], XD [auth FFF], XH [auth KKK], XK [auth OOO], Y [auth AAA], YD [auth FFF], YH [auth KKK], YK [auth OOO], Z [auth AAA], ZD [auth FFF]	TRIETHYLENE GLYCOL C₆ H₁₄ O₄ ZIBGPFATKBEMQZ-UHFFFAOYSA-N		Interactions Focus chain AA [auth AAA] Focus chain CB [auth BBB] Focus chain CF [auth GGG] Focus chain DD [auth EEE] Focus chain DG [auth HHH] Focus chain ED [auth EEE] Focus chain EK [auth NNN] Focus chain FD [auth EEE] Focus chain FH [auth JJJ] Focus chain FK [auth NNN] Focus chain GD [auth EEE] Focus chain GH [auth JJJ] Focus chain GK [auth NNN] Focus chain HB [auth CCC] Focus chain HG [auth III] Focus chain HJ [auth LLL] Focus chain HK [auth NNN] Focus chain IB [auth CCC] Focus chain IC [auth DDD] Focus chain IG [auth III] Focus chain IJ [auth LLL] Focus chain JB [auth CCC] Focus chain JC [auth DDD] Focus chain JG [auth III] Focus chain KB [auth CCC] Focus chain KC [auth DDD] Focus chain KG [auth III] Focus chain LB [auth CCC] Focus chain LF [auth HHH] Focus chain MF [auth HHH] Focus chain ML [auth PPP] Focus chain NF [auth HHH] Focus chain OF [auth HHH] Focus chain OJ [auth MMM] Focus chain PA [auth BBB] Focus chain PF [auth HHH] Focus chain PJ [auth MMM] Focus chain QA [auth BBB] Focus chain RE [auth GGG] Focus chain RI [auth LLL] Focus chain SE [auth GGG] Focus chain SI [auth LLL] Focus chain TE [auth GGG] Focus chain V [auth AAA] Focus chain W [auth AAA] Focus chain WG [auth JJJ] Focus chain WK [auth OOO] Focus chain X [auth AAA] Focus chain XD [auth FFF] Focus chain XH [auth KKK] Focus chain XK [auth OOO] Focus chain Y [auth AAA] Focus chain YD [auth FFF] Focus chain YH [auth KKK] Focus chain YK [auth OOO] Focus chain Z [auth AAA] Focus chain ZD [auth FFF] Interactions & Density Focus chain AA [auth AAA] Focus chain CB [auth BBB] Focus chain CF [auth GGG] Focus chain DD [auth EEE] Focus chain DG [auth HHH] Focus chain ED [auth EEE] Focus chain EK [auth NNN] Focus chain FD [auth EEE] Focus chain FH [auth JJJ] Focus chain FK [auth NNN] Focus chain GD [auth EEE] Focus chain GH [auth JJJ] Focus chain GK [auth NNN] Focus chain HB [auth CCC] Focus chain HG [auth III] Focus chain HJ [auth LLL] Focus chain HK [auth NNN] Focus chain IB [auth CCC] Focus chain IC [auth DDD] Focus chain IG [auth III] Focus chain IJ [auth LLL] Focus chain JB [auth CCC] Focus chain JC [auth DDD] Focus chain JG [auth III] Focus chain KB [auth CCC] Focus chain KC [auth DDD] Focus chain KG [auth III] Focus chain LB [auth CCC] Focus chain LF [auth HHH] Focus chain MF [auth HHH] Focus chain ML [auth PPP] Focus chain NF [auth HHH] Focus chain OF [auth HHH] Focus chain OJ [auth MMM] Focus chain PA [auth BBB] Focus chain PF [auth HHH] Focus chain PJ [auth MMM] Focus chain QA [auth BBB] Focus chain RE [auth GGG] Focus chain RI [auth LLL] Focus chain SE [auth GGG] Focus chain SI [auth LLL] Focus chain TE [auth GGG] Focus chain V [auth AAA] Focus chain W [auth AAA] Focus chain WG [auth JJJ] Focus chain WK [auth OOO] Focus chain X [auth AAA] Focus chain XD [auth FFF] Focus chain XH [auth KKK] Focus chain XK [auth OOO] Focus chain Y [auth AAA] Focus chain YD [auth FFF] Focus chain YH [auth KKK] Focus chain YK [auth OOO] Focus chain Z [auth AAA] Focus chain ZD [auth FFF]
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain AE [auth FFF] SDF format, chain AI [auth KKK] SDF format, chain AJ [auth LLL] SDF format, chain AL [auth OOO] SDF format, chain BA [auth AAA] SDF format, chain BE [auth FFF] SDF format, chain BI [auth KKK] SDF format, chain BL [auth OOO] SDF format, chain CA [auth AAA] SDF format, chain CE [auth FFF] SDF format, chain CI [auth KKK] SDF format, chain CL [auth OOO] SDF format, chain DE [auth FFF] SDF format, chain DI [auth KKK] SDF format, chain EE [auth FFF] SDF format, chain EG [auth III] SDF format, chain FL [auth PPP] SDF format, chain HH [auth JJJ] SDF format, chain IH [auth JJJ] SDF format, chain IK [auth NNN] SDF format, chain JH [auth JJJ] SDF format, chain JK [auth NNN] SDF format, chain KK [auth NNN] SDF format, chain LC [auth DDD] SDF format, chain LG [auth III] SDF format, chain MB [auth CCC] SDF format, chain MC [auth DDD] SDF format, chain MD [auth EEE] SDF format, chain MG [auth III] SDF format, chain NB [auth CCC] SDF format, chain NC [auth DDD] SDF format, chain NG [auth III] SDF format, chain NL [auth PPP] SDF format, chain OB [auth CCC] SDF format, chain OC [auth DDD] SDF format, chain OG [auth III] SDF format, chain OL [auth PPP] SDF format, chain PB [auth CCC] SDF format, chain PG [auth III] SDF format, chain PL [auth PPP] SDF format, chain QB [auth CCC] SDF format, chain QF [auth HHH] SDF format, chain QJ [auth MMM] SDF format, chain RA [auth BBB] SDF format, chain RB [auth CCC] SDF format, chain RF [auth HHH] SDF format, chain RJ [auth MMM] SDF format, chain RL [auth PPP] SDF format, chain SA [auth BBB] SDF format, chain SB [auth CCC] SDF format, chain SF [auth HHH] SDF format, chain SJ [auth MMM] SDF format, chain SL [auth PPP] SDF format, chain TF [auth HHH] SDF format, chain TI [auth LLL] SDF format, chain UA [auth BBB] SDF format, chain UE [auth GGG] SDF format, chain UF [auth HHH] SDF format, chain UI [auth LLL] SDF format, chain VA [auth BBB] SDF format, chain VE [auth GGG] SDF format, chain VI [auth LLL] SDF format, chain WA [auth BBB] SDF format, chain WB [auth CCC] SDF format, chain WE [auth GGG] SDF format, chain WI [auth LLL] SDF format, chain XE [auth GGG] SDF format, chain XI [auth LLL] SDF format, chain YB [auth CCC] SDF format, chain YE [auth GGG] SDF format, chain YI [auth LLL] SDF format, chain ZC [auth DDD] SDF format, chain ZH [auth KKK] SDF format, chain ZI [auth LLL] SDF format, chain ZK [auth OOO] SDF format, chain DB [auth BBB] SDF format, chain LD [auth EEE] SDF format, chain QL [auth PPP] SDF format, chain TA [auth BBB] MOL2 format, chain AE [auth FFF] MOL2 format, chain AI [auth KKK] MOL2 format, chain AJ [auth LLL] MOL2 format, chain AL [auth OOO] MOL2 format, chain BA [auth AAA] MOL2 format, chain BE [auth FFF] MOL2 format, chain BI [auth KKK] MOL2 format, chain BL [auth OOO] MOL2 format, chain CA [auth AAA] MOL2 format, chain CE [auth FFF] MOL2 format, chain CI [auth KKK] MOL2 format, chain CL [auth OOO] MOL2 format, chain DE [auth FFF] MOL2 format, chain DI [auth KKK] MOL2 format, chain EE [auth FFF] MOL2 format, chain EG [auth III] MOL2 format, chain FL [auth PPP] MOL2 format, chain HH [auth JJJ] MOL2 format, chain IH [auth JJJ] MOL2 format, chain IK [auth NNN] MOL2 format, chain JH [auth JJJ] MOL2 format, chain JK [auth NNN] MOL2 format, chain KK [auth NNN] MOL2 format, chain LC [auth DDD] MOL2 format, chain LG [auth III] MOL2 format, chain MB [auth CCC] MOL2 format, chain MC [auth DDD] MOL2 format, chain MD [auth EEE] MOL2 format, chain MG [auth III] MOL2 format, chain NB [auth CCC] MOL2 format, chain NC [auth DDD] MOL2 format, chain NG [auth III] MOL2 format, chain NL [auth PPP] MOL2 format, chain OB [auth CCC] MOL2 format, chain OC [auth DDD] MOL2 format, chain OG [auth III] MOL2 format, chain OL [auth PPP] MOL2 format, chain PB [auth CCC] MOL2 format, chain PG [auth III] MOL2 format, chain PL [auth PPP] MOL2 format, chain QB [auth CCC] MOL2 format, chain QF [auth HHH] MOL2 format, chain QJ [auth MMM] MOL2 format, chain RA [auth BBB] MOL2 format, chain RB [auth CCC] MOL2 format, chain RF [auth HHH] MOL2 format, chain RJ [auth MMM] MOL2 format, chain RL [auth PPP] MOL2 format, chain SA [auth BBB] MOL2 format, chain SB [auth CCC] MOL2 format, chain SF [auth HHH] MOL2 format, chain SJ [auth MMM] MOL2 format, chain SL [auth PPP] MOL2 format, chain TF [auth HHH] MOL2 format, chain TI [auth LLL] MOL2 format, chain UA [auth BBB] MOL2 format, chain UE [auth GGG] MOL2 format, chain UF [auth HHH] MOL2 format, chain UI [auth LLL] MOL2 format, chain VA [auth BBB] MOL2 format, chain VE [auth GGG] MOL2 format, chain VI [auth LLL] MOL2 format, chain WA [auth BBB] MOL2 format, chain WB [auth CCC] MOL2 format, chain WE [auth GGG] MOL2 format, chain WI [auth LLL] MOL2 format, chain XE [auth GGG] MOL2 format, chain XI [auth LLL] MOL2 format, chain YB [auth CCC] MOL2 format, chain YE [auth GGG] MOL2 format, chain YI [auth LLL] MOL2 format, chain ZC [auth DDD] MOL2 format, chain ZH [auth KKK] MOL2 format, chain ZI [auth LLL] MOL2 format, chain ZK [auth OOO] MOL2 format, chain DB [auth BBB] MOL2 format, chain LD [auth EEE] MOL2 format, chain QL [auth PPP] MOL2 format, chain TA [auth BBB] mmCIF format, chain AE [auth FFF] mmCIF format, chain AI [auth KKK] mmCIF format, chain AJ [auth LLL] mmCIF format, chain AL [auth OOO] mmCIF format, chain BA [auth AAA] mmCIF format, chain BE [auth FFF] mmCIF format, chain BI [auth KKK] mmCIF format, chain BL [auth OOO] mmCIF format, chain CA [auth AAA] mmCIF format, chain CE [auth FFF] mmCIF format, chain CI [auth KKK] mmCIF format, chain CL [auth OOO] mmCIF format, chain DE [auth FFF] mmCIF format, chain DI [auth KKK] mmCIF format, chain EE [auth FFF] mmCIF format, chain EG [auth III] mmCIF format, chain FL [auth PPP] mmCIF format, chain HH [auth JJJ] mmCIF format, chain IH [auth JJJ] mmCIF format, chain IK [auth NNN] mmCIF format, chain JH [auth JJJ] mmCIF format, chain JK [auth NNN] mmCIF format, chain KK [auth NNN] mmCIF format, chain LC [auth DDD] mmCIF format, chain LG [auth III] mmCIF format, chain MB [auth CCC] mmCIF format, chain MC [auth DDD] mmCIF format, chain MD [auth EEE] mmCIF format, chain MG [auth III] mmCIF format, chain NB [auth CCC] mmCIF format, chain NC [auth DDD] mmCIF format, chain NG [auth III] mmCIF format, chain NL [auth PPP] mmCIF format, chain OB [auth CCC] mmCIF format, chain OC [auth DDD] mmCIF format, chain OG [auth III] mmCIF format, chain OL [auth PPP] mmCIF format, chain PB [auth CCC] mmCIF format, chain PG [auth III] mmCIF format, chain PL [auth PPP] mmCIF format, chain QB [auth CCC] mmCIF format, chain QF [auth HHH] mmCIF format, chain QJ [auth MMM] mmCIF format, chain RA [auth BBB] mmCIF format, chain RB [auth CCC] mmCIF format, chain RF [auth HHH] mmCIF format, chain RJ [auth MMM] mmCIF format, chain RL [auth PPP] mmCIF format, chain SA [auth BBB] mmCIF format, chain SB [auth CCC] mmCIF format, chain SF [auth HHH] mmCIF format, chain SJ [auth MMM] mmCIF format, chain SL [auth PPP] mmCIF format, chain TF [auth HHH] mmCIF format, chain TI [auth LLL] mmCIF format, chain UA [auth BBB] mmCIF format, chain UE [auth GGG] mmCIF format, chain UF [auth HHH] mmCIF format, chain UI [auth LLL] mmCIF format, chain VA [auth BBB] mmCIF format, chain VE [auth GGG] mmCIF format, chain VI [auth LLL] mmCIF format, chain WA [auth BBB] mmCIF format, chain WB [auth CCC] mmCIF format, chain WE [auth GGG] mmCIF format, chain WI [auth LLL] mmCIF format, chain XE [auth GGG] mmCIF format, chain XI [auth LLL] mmCIF format, chain YB [auth CCC] mmCIF format, chain YE [auth GGG] mmCIF format, chain YI [auth LLL] mmCIF format, chain ZC [auth DDD] mmCIF format, chain ZH [auth KKK] mmCIF format, chain ZI [auth LLL] mmCIF format, chain ZK [auth OOO] mmCIF format, chain DB [auth BBB] mmCIF format, chain LD [auth EEE] mmCIF format, chain QL [auth PPP] mmCIF format, chain TA [auth BBB]	AE [auth FFF] AI [auth KKK] AJ [auth LLL] AL [auth OOO] BA [auth AAA] AE [auth FFF], AI [auth KKK], AJ [auth LLL], AL [auth OOO], BA [auth AAA], BE [auth FFF], BI [auth KKK], BL [auth OOO], CA [auth AAA], CE [auth FFF], CI [auth KKK], CL [auth OOO], DB [auth BBB], DE [auth FFF], DI [auth KKK], EE [auth FFF], EG [auth III], FL [auth PPP], HH [auth JJJ], IH [auth JJJ], IK [auth NNN], JH [auth JJJ], JK [auth NNN], KK [auth NNN], LC [auth DDD], LD [auth EEE], LG [auth III], MB [auth CCC], MC [auth DDD], MD [auth EEE], MG [auth III], NB [auth CCC], NC [auth DDD], NG [auth III], NL [auth PPP], OB [auth CCC], OC [auth DDD], OG [auth III], OL [auth PPP], PB [auth CCC], PG [auth III], PL [auth PPP], QB [auth CCC], QF [auth HHH], QJ [auth MMM], QL [auth PPP], RA [auth BBB], RB [auth CCC], RF [auth HHH], RJ [auth MMM], RL [auth PPP], SA [auth BBB], SB [auth CCC], SF [auth HHH], SJ [auth MMM], SL [auth PPP], TA [auth BBB], TF [auth HHH], TI [auth LLL], UA [auth BBB], UE [auth GGG], UF [auth HHH], UI [auth LLL], VA [auth BBB], VE [auth GGG], VI [auth LLL], WA [auth BBB], WB [auth CCC], WE [auth GGG], WI [auth LLL], XE [auth GGG], XI [auth LLL], YB [auth CCC], YE [auth GGG], YI [auth LLL], ZC [auth DDD], ZH [auth KKK], ZI [auth LLL], ZK [auth OOO]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain AE [auth FFF] Focus chain AI [auth KKK] Focus chain AJ [auth LLL] Focus chain AL [auth OOO] Focus chain BA [auth AAA] Focus chain BE [auth FFF] Focus chain BI [auth KKK] Focus chain BL [auth OOO] Focus chain CA [auth AAA] Focus chain CE [auth FFF] Focus chain CI [auth KKK] Focus chain CL [auth OOO] Focus chain DB [auth BBB] Focus chain DE [auth FFF] Focus chain DI [auth KKK] Focus chain EE [auth FFF] Focus chain EG [auth III] Focus chain FL [auth PPP] Focus chain HH [auth JJJ] Focus chain IH [auth JJJ] Focus chain IK [auth NNN] Focus chain JH [auth JJJ] Focus chain JK [auth NNN] Focus chain KK [auth NNN] Focus chain LC [auth DDD] Focus chain LD [auth EEE] Focus chain LG [auth III] Focus chain MB [auth CCC] Focus chain MC [auth DDD] Focus chain MD [auth EEE] Focus chain MG [auth III] Focus chain NB [auth CCC] Focus chain NC [auth DDD] Focus chain NG [auth III] Focus chain NL [auth PPP] Focus chain OB [auth CCC] Focus chain OC [auth DDD] Focus chain OG [auth III] Focus chain OL [auth PPP] Focus chain PB [auth CCC] Focus chain PG [auth III] Focus chain PL [auth PPP] Focus chain QB [auth CCC] Focus chain QF [auth HHH] Focus chain QJ [auth MMM] Focus chain QL [auth PPP] Focus chain RA [auth BBB] Focus chain RB [auth CCC] Focus chain RF [auth HHH] Focus chain RJ [auth MMM] Focus chain RL [auth PPP] Focus chain SA [auth BBB] Focus chain SB [auth CCC] Focus chain SF [auth HHH] Focus chain SJ [auth MMM] Focus chain SL [auth PPP] Focus chain TA [auth BBB] Focus chain TF [auth HHH] Focus chain TI [auth LLL] Focus chain UA [auth BBB] Focus chain UE [auth GGG] Focus chain UF [auth HHH] Focus chain UI [auth LLL] Focus chain VA [auth BBB] Focus chain VE [auth GGG] Focus chain VI [auth LLL] Focus chain WA [auth BBB] Focus chain WB [auth CCC] Focus chain WE [auth GGG] Focus chain WI [auth LLL] Focus chain XE [auth GGG] Focus chain XI [auth LLL] Focus chain YB [auth CCC] Focus chain YE [auth GGG] Focus chain YI [auth LLL] Focus chain ZC [auth DDD] Focus chain ZH [auth KKK] Focus chain ZI [auth LLL] Focus chain ZK [auth OOO] Interactions & Density Focus chain AE [auth FFF] Focus chain AI [auth KKK] Focus chain AJ [auth LLL] Focus chain AL [auth OOO] Focus chain BA [auth AAA] Focus chain BE [auth FFF] Focus chain BI [auth KKK] Focus chain BL [auth OOO] Focus chain CA [auth AAA] Focus chain CE [auth FFF] Focus chain CI [auth KKK] Focus chain CL [auth OOO] Focus chain DB [auth BBB] Focus chain DE [auth FFF] Focus chain DI [auth KKK] Focus chain EE [auth FFF] Focus chain EG [auth III] Focus chain FL [auth PPP] Focus chain HH [auth JJJ] Focus chain IH [auth JJJ] Focus chain IK [auth NNN] Focus chain JH [auth JJJ] Focus chain JK [auth NNN] Focus chain KK [auth NNN] Focus chain LC [auth DDD] Focus chain LD [auth EEE] Focus chain LG [auth III] Focus chain MB [auth CCC] Focus chain MC [auth DDD] Focus chain MD [auth EEE] Focus chain MG [auth III] Focus chain NB [auth CCC] Focus chain NC [auth DDD] Focus chain NG [auth III] Focus chain NL [auth PPP] Focus chain OB [auth CCC] Focus chain OC [auth DDD] Focus chain OG [auth III] Focus chain OL [auth PPP] Focus chain PB [auth CCC] Focus chain PG [auth III] Focus chain PL [auth PPP] Focus chain QB [auth CCC] Focus chain QF [auth HHH] Focus chain QJ [auth MMM] Focus chain QL [auth PPP] Focus chain RA [auth BBB] Focus chain RB [auth CCC] Focus chain RF [auth HHH] Focus chain RJ [auth MMM] Focus chain RL [auth PPP] Focus chain SA [auth BBB] Focus chain SB [auth CCC] Focus chain SF [auth HHH] Focus chain SJ [auth MMM] Focus chain SL [auth PPP] Focus chain TA [auth BBB] Focus chain TF [auth HHH] Focus chain TI [auth LLL] Focus chain UA [auth BBB] Focus chain UE [auth GGG] Focus chain UF [auth HHH] Focus chain UI [auth LLL] Focus chain VA [auth BBB] Focus chain VE [auth GGG] Focus chain VI [auth LLL] Focus chain WA [auth BBB] Focus chain WB [auth CCC] Focus chain WE [auth GGG] Focus chain WI [auth LLL] Focus chain XE [auth GGG] Focus chain XI [auth LLL] Focus chain YB [auth CCC] Focus chain YE [auth GGG] Focus chain YI [auth LLL] Focus chain ZC [auth DDD] Focus chain ZH [auth KKK] Focus chain ZI [auth LLL] Focus chain ZK [auth OOO]
PO4 Query on PO4 Download Ideal Coordinates CCD File SDF format, chain AB [auth BBB] SDF format, chain AF [auth GGG] SDF format, chain AG [auth HHH] SDF format, chain DJ [auth LLL] SDF format, chain DL [auth OOO] SDF format, chain EA [auth AAA] SDF format, chain EI [auth KKK] SDF format, chain FI [auth KKK] SDF format, chain GE [auth FFF] SDF format, chain GI [auth KKK] SDF format, chain HE [auth FFF] SDF format, chain IE [auth FFF] SDF format, chain JE [auth FFF] SDF format, chain KE [auth FFF] SDF format, chain KH [auth JJJ] SDF format, chain LH [auth JJJ] SDF format, chain MH [auth JJJ] SDF format, chain NH [auth JJJ] SDF format, chain OH [auth JJJ] SDF format, chain OK [auth NNN] SDF format, chain PK [auth NNN] SDF format, chain QH [auth JJJ] SDF format, chain QK [auth NNN] SDF format, chain RC [auth DDD] SDF format, chain RG [auth III] SDF format, chain SC [auth DDD] SDF format, chain SG [auth III] SDF format, chain TB [auth CCC] SDF format, chain TC [auth DDD] SDF format, chain TG [auth III] SDF format, chain UB [auth CCC] SDF format, chain UC [auth DDD] SDF format, chain UL [auth PPP] SDF format, chain VC [auth DDD] SDF format, chain VL [auth PPP] SDF format, chain WC [auth DDD] SDF format, chain WL [auth PPP] SDF format, chain XA [auth BBB] SDF format, chain XB [auth CCC] SDF format, chain YF [auth HHH] SDF format, chain ZA [auth BBB] SDF format, chain ZF [auth HHH] SDF format, chain CJ [auth LLL] SDF format, chain DA [auth AAA] SDF format, chain RK [auth NNN] SDF format, chain SK [auth NNN] SDF format, chain XF [auth HHH] SDF format, chain YA [auth BBB] SDF format, chain ZE [auth GGG] MOL2 format, chain AB [auth BBB] MOL2 format, chain AF [auth GGG] MOL2 format, chain AG [auth HHH] MOL2 format, chain DJ [auth LLL] MOL2 format, chain DL [auth OOO] MOL2 format, chain EA [auth AAA] MOL2 format, chain EI [auth KKK] MOL2 format, chain FI [auth KKK] MOL2 format, chain GE [auth FFF] MOL2 format, chain GI [auth KKK] MOL2 format, chain HE [auth FFF] MOL2 format, chain IE [auth FFF] MOL2 format, chain JE [auth FFF] MOL2 format, chain KE [auth FFF] MOL2 format, chain KH [auth JJJ] MOL2 format, chain LH [auth JJJ] MOL2 format, chain MH [auth JJJ] MOL2 format, chain NH [auth JJJ] MOL2 format, chain OH [auth JJJ] MOL2 format, chain OK [auth NNN] MOL2 format, chain PK [auth NNN] MOL2 format, chain QH [auth JJJ] MOL2 format, chain QK [auth NNN] MOL2 format, chain RC [auth DDD] MOL2 format, chain RG [auth III] MOL2 format, chain SC [auth DDD] MOL2 format, chain SG [auth III] MOL2 format, chain TB [auth CCC] MOL2 format, chain TC [auth DDD] MOL2 format, chain TG [auth III] MOL2 format, chain UB [auth CCC] MOL2 format, chain UC [auth DDD] MOL2 format, chain UL [auth PPP] MOL2 format, chain VC [auth DDD] MOL2 format, chain VL [auth PPP] MOL2 format, chain WC [auth DDD] MOL2 format, chain WL [auth PPP] MOL2 format, chain XA [auth BBB] MOL2 format, chain XB [auth CCC] MOL2 format, chain YF [auth HHH] MOL2 format, chain ZA [auth BBB] MOL2 format, chain ZF [auth HHH] MOL2 format, chain CJ [auth LLL] MOL2 format, chain DA [auth AAA] MOL2 format, chain RK [auth NNN] MOL2 format, chain SK [auth NNN] MOL2 format, chain XF [auth HHH] MOL2 format, chain YA [auth BBB] MOL2 format, chain ZE [auth GGG] mmCIF format, chain AB [auth BBB] mmCIF format, chain AF [auth GGG] mmCIF format, chain AG [auth HHH] mmCIF format, chain DJ [auth LLL] mmCIF format, chain DL [auth OOO] mmCIF format, chain EA [auth AAA] mmCIF format, chain EI [auth KKK] mmCIF format, chain FI [auth KKK] mmCIF format, chain GE [auth FFF] mmCIF format, chain GI [auth KKK] mmCIF format, chain HE [auth FFF] mmCIF format, chain IE [auth FFF] mmCIF format, chain JE [auth FFF] mmCIF format, chain KE [auth FFF] mmCIF format, chain KH [auth JJJ] mmCIF format, chain LH [auth JJJ] mmCIF format, chain MH [auth JJJ] mmCIF format, chain NH [auth JJJ] mmCIF format, chain OH [auth JJJ] mmCIF format, chain OK [auth NNN] mmCIF format, chain PK [auth NNN] mmCIF format, chain QH [auth JJJ] mmCIF format, chain QK [auth NNN] mmCIF format, chain RC [auth DDD] mmCIF format, chain RG [auth III] mmCIF format, chain SC [auth DDD] mmCIF format, chain SG [auth III] mmCIF format, chain TB [auth CCC] mmCIF format, chain TC [auth DDD] mmCIF format, chain TG [auth III] mmCIF format, chain UB [auth CCC] mmCIF format, chain UC [auth DDD] mmCIF format, chain UL [auth PPP] mmCIF format, chain VC [auth DDD] mmCIF format, chain VL [auth PPP] mmCIF format, chain WC [auth DDD] mmCIF format, chain WL [auth PPP] mmCIF format, chain XA [auth BBB] mmCIF format, chain XB [auth CCC] mmCIF format, chain YF [auth HHH] mmCIF format, chain ZA [auth BBB] mmCIF format, chain ZF [auth HHH] mmCIF format, chain CJ [auth LLL] mmCIF format, chain DA [auth AAA] mmCIF format, chain RK [auth NNN] mmCIF format, chain SK [auth NNN] mmCIF format, chain XF [auth HHH] mmCIF format, chain YA [auth BBB] mmCIF format, chain ZE [auth GGG]	AB [auth BBB] AF [auth GGG] AG [auth HHH] CJ [auth LLL] DA [auth AAA] AB [auth BBB], AF [auth GGG], AG [auth HHH], CJ [auth LLL], DA [auth AAA], DJ [auth LLL], DL [auth OOO], EA [auth AAA], EI [auth KKK], FI [auth KKK], GE [auth FFF], GI [auth KKK], HE [auth FFF], IE [auth FFF], JE [auth FFF], KE [auth FFF], KH [auth JJJ], LH [auth JJJ], MH [auth JJJ], NH [auth JJJ], OH [auth JJJ], OK [auth NNN], PK [auth NNN], QH [auth JJJ], QK [auth NNN], RC [auth DDD], RG [auth III], RK [auth NNN], SC [auth DDD], SG [auth III], SK [auth NNN], TB [auth CCC], TC [auth DDD], TG [auth III], UB [auth CCC], UC [auth DDD], UL [auth PPP], VC [auth DDD], VL [auth PPP], WC [auth DDD], WL [auth PPP], XA [auth BBB], XB [auth CCC], XF [auth HHH], YA [auth BBB], YF [auth HHH], ZA [auth BBB], ZE [auth GGG], ZF [auth HHH]	PHOSPHATE ION O₄ P NBIIXXVUZAFLBC-UHFFFAOYSA-K		Interactions Focus chain AB [auth BBB] Focus chain AF [auth GGG] Focus chain AG [auth HHH] Focus chain CJ [auth LLL] Focus chain DA [auth AAA] Focus chain DJ [auth LLL] Focus chain DL [auth OOO] Focus chain EA [auth AAA] Focus chain EI [auth KKK] Focus chain FI [auth KKK] Focus chain GE [auth FFF] Focus chain GI [auth KKK] Focus chain HE [auth FFF] Focus chain IE [auth FFF] Focus chain JE [auth FFF] Focus chain KE [auth FFF] Focus chain KH [auth JJJ] Focus chain LH [auth JJJ] Focus chain MH [auth JJJ] Focus chain NH [auth JJJ] Focus chain OH [auth JJJ] Focus chain OK [auth NNN] Focus chain PK [auth NNN] Focus chain QH [auth JJJ] Focus chain QK [auth NNN] Focus chain RC [auth DDD] Focus chain RG [auth III] Focus chain RK [auth NNN] Focus chain SC [auth DDD] Focus chain SG [auth III] Focus chain SK [auth NNN] Focus chain TB [auth CCC] Focus chain TC [auth DDD] Focus chain TG [auth III] Focus chain UB [auth CCC] Focus chain UC [auth DDD] Focus chain UL [auth PPP] Focus chain VC [auth DDD] Focus chain VL [auth PPP] Focus chain WC [auth DDD] Focus chain WL [auth PPP] Focus chain XA [auth BBB] Focus chain XB [auth CCC] Focus chain XF [auth HHH] Focus chain YA [auth BBB] Focus chain YF [auth HHH] Focus chain ZA [auth BBB] Focus chain ZE [auth GGG] Focus chain ZF [auth HHH] Interactions & Density Focus chain AB [auth BBB] Focus chain AF [auth GGG] Focus chain AG [auth HHH] Focus chain CJ [auth LLL] Focus chain DA [auth AAA] Focus chain DJ [auth LLL] Focus chain DL [auth OOO] Focus chain EA [auth AAA] Focus chain EI [auth KKK] Focus chain FI [auth KKK] Focus chain GE [auth FFF] Focus chain GI [auth KKK] Focus chain HE [auth FFF] Focus chain IE [auth FFF] Focus chain JE [auth FFF] Focus chain KE [auth FFF] Focus chain KH [auth JJJ] Focus chain LH [auth JJJ] Focus chain MH [auth JJJ] Focus chain NH [auth JJJ] Focus chain OH [auth JJJ] Focus chain OK [auth NNN] Focus chain PK [auth NNN] Focus chain QH [auth JJJ] Focus chain QK [auth NNN] Focus chain RC [auth DDD] Focus chain RG [auth III] Focus chain RK [auth NNN] Focus chain SC [auth DDD] Focus chain SG [auth III] Focus chain SK [auth NNN] Focus chain TB [auth CCC] Focus chain TC [auth DDD] Focus chain TG [auth III] Focus chain UB [auth CCC] Focus chain UC [auth DDD] Focus chain UL [auth PPP] Focus chain VC [auth DDD] Focus chain VL [auth PPP] Focus chain WC [auth DDD] Focus chain WL [auth PPP] Focus chain XA [auth BBB] Focus chain XB [auth CCC] Focus chain XF [auth HHH] Focus chain YA [auth BBB] Focus chain YF [auth HHH] Focus chain ZA [auth BBB] Focus chain ZE [auth GGG] Focus chain ZF [auth HHH]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain BJ [auth LLL] SDF format, chain FE [auth FFF] SDF format, chain HD [auth EEE] SDF format, chain ID [auth EEE] SDF format, chain LK [auth NNN] SDF format, chain MK [auth NNN] SDF format, chain NK [auth NNN] SDF format, chain PC [auth DDD] SDF format, chain PD [auth FFF] SDF format, chain QC [auth DDD] SDF format, chain QG [auth III] SDF format, chain UG [auth III] SDF format, chain VF [auth HHH] SDF format, chain WF [auth HHH] SDF format, chain TL [auth PPP] MOL2 format, chain BJ [auth LLL] MOL2 format, chain FE [auth FFF] MOL2 format, chain HD [auth EEE] MOL2 format, chain ID [auth EEE] MOL2 format, chain LK [auth NNN] MOL2 format, chain MK [auth NNN] MOL2 format, chain NK [auth NNN] MOL2 format, chain PC [auth DDD] MOL2 format, chain PD [auth FFF] MOL2 format, chain QC [auth DDD] MOL2 format, chain QG [auth III] MOL2 format, chain UG [auth III] MOL2 format, chain VF [auth HHH] MOL2 format, chain WF [auth HHH] MOL2 format, chain TL [auth PPP] mmCIF format, chain BJ [auth LLL] mmCIF format, chain FE [auth FFF] mmCIF format, chain HD [auth EEE] mmCIF format, chain ID [auth EEE] mmCIF format, chain LK [auth NNN] mmCIF format, chain MK [auth NNN] mmCIF format, chain NK [auth NNN] mmCIF format, chain PC [auth DDD] mmCIF format, chain PD [auth FFF] mmCIF format, chain QC [auth DDD] mmCIF format, chain QG [auth III] mmCIF format, chain UG [auth III] mmCIF format, chain VF [auth HHH] mmCIF format, chain WF [auth HHH] mmCIF format, chain TL [auth PPP]	BJ [auth LLL] FE [auth FFF] HD [auth EEE] ID [auth EEE] LK [auth NNN] BJ [auth LLL], FE [auth FFF], HD [auth EEE], ID [auth EEE], LK [auth NNN], MK [auth NNN], NK [auth NNN], PC [auth DDD], PD [auth FFF], QC [auth DDD], QG [auth III], TL [auth PPP], UG [auth III], VF [auth HHH], WF [auth HHH]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain BJ [auth LLL] Focus chain FE [auth FFF] Focus chain HD [auth EEE] Focus chain ID [auth EEE] Focus chain LK [auth NNN] Focus chain MK [auth NNN] Focus chain NK [auth NNN] Focus chain PC [auth DDD] Focus chain PD [auth FFF] Focus chain QC [auth DDD] Focus chain QG [auth III] Focus chain TL [auth PPP] Focus chain UG [auth III] Focus chain VF [auth HHH] Focus chain WF [auth HHH] Interactions & Density Focus chain BJ [auth LLL] Focus chain FE [auth FFF] Focus chain HD [auth EEE] Focus chain ID [auth EEE] Focus chain LK [auth NNN] Focus chain MK [auth NNN] Focus chain NK [auth NNN] Focus chain PC [auth DDD] Focus chain PD [auth FFF] Focus chain QC [auth DDD] Focus chain QG [auth III] Focus chain TL [auth PPP] Focus chain UG [auth III] Focus chain VF [auth HHH] Focus chain WF [auth HHH]
NO3 Query on NO3 Download Ideal Coordinates CCD File SDF format, chain BB [auth BBB] SDF format, chain BF [auth GGG] SDF format, chain BG [auth HHH] SDF format, chain CG [auth HHH] SDF format, chain EJ [auth LLL] SDF format, chain EL [auth OOO] SDF format, chain FA [auth AAA] SDF format, chain FJ [auth LLL] SDF format, chain GA [auth AAA] SDF format, chain GJ [auth LLL] SDF format, chain HI [auth KKK] SDF format, chain II [auth KKK] SDF format, chain JD [auth EEE] SDF format, chain KD [auth EEE] SDF format, chain LE [auth FFF] SDF format, chain PH [auth JJJ] SDF format, chain RH [auth JJJ] SDF format, chain TJ [auth MMM] SDF format, chain VG [auth III] SDF format, chain XC [auth DDD] SDF format, chain XL [auth PPP] SDF format, chain YC [auth DDD] SDF format, chain VB [auth CCC] MOL2 format, chain BB [auth BBB] MOL2 format, chain BF [auth GGG] MOL2 format, chain BG [auth HHH] MOL2 format, chain CG [auth HHH] MOL2 format, chain EJ [auth LLL] MOL2 format, chain EL [auth OOO] MOL2 format, chain FA [auth AAA] MOL2 format, chain FJ [auth LLL] MOL2 format, chain GA [auth AAA] MOL2 format, chain GJ [auth LLL] MOL2 format, chain HI [auth KKK] MOL2 format, chain II [auth KKK] MOL2 format, chain JD [auth EEE] MOL2 format, chain KD [auth EEE] MOL2 format, chain LE [auth FFF] MOL2 format, chain PH [auth JJJ] MOL2 format, chain RH [auth JJJ] MOL2 format, chain TJ [auth MMM] MOL2 format, chain VG [auth III] MOL2 format, chain XC [auth DDD] MOL2 format, chain XL [auth PPP] MOL2 format, chain YC [auth DDD] MOL2 format, chain VB [auth CCC] mmCIF format, chain BB [auth BBB] mmCIF format, chain BF [auth GGG] mmCIF format, chain BG [auth HHH] mmCIF format, chain CG [auth HHH] mmCIF format, chain EJ [auth LLL] mmCIF format, chain EL [auth OOO] mmCIF format, chain FA [auth AAA] mmCIF format, chain FJ [auth LLL] mmCIF format, chain GA [auth AAA] mmCIF format, chain GJ [auth LLL] mmCIF format, chain HI [auth KKK] mmCIF format, chain II [auth KKK] mmCIF format, chain JD [auth EEE] mmCIF format, chain KD [auth EEE] mmCIF format, chain LE [auth FFF] mmCIF format, chain PH [auth JJJ] mmCIF format, chain RH [auth JJJ] mmCIF format, chain TJ [auth MMM] mmCIF format, chain VG [auth III] mmCIF format, chain XC [auth DDD] mmCIF format, chain XL [auth PPP] mmCIF format, chain YC [auth DDD] mmCIF format, chain VB [auth CCC]	BB [auth BBB] BF [auth GGG] BG [auth HHH] CG [auth HHH] EJ [auth LLL] BB [auth BBB], BF [auth GGG], BG [auth HHH], CG [auth HHH], EJ [auth LLL], EL [auth OOO], FA [auth AAA], FJ [auth LLL], GA [auth AAA], GJ [auth LLL], HI [auth KKK], II [auth KKK], JD [auth EEE], KD [auth EEE], LE [auth FFF], PH [auth JJJ], RH [auth JJJ], TJ [auth MMM], VB [auth CCC], VG [auth III], XC [auth DDD], XL [auth PPP], YC [auth DDD]	NITRATE ION N O₃ NHNBFGGVMKEFGY-UHFFFAOYSA-N		Interactions Focus chain BB [auth BBB] Focus chain BF [auth GGG] Focus chain BG [auth HHH] Focus chain CG [auth HHH] Focus chain EJ [auth LLL] Focus chain EL [auth OOO] Focus chain FA [auth AAA] Focus chain FJ [auth LLL] Focus chain GA [auth AAA] Focus chain GJ [auth LLL] Focus chain HI [auth KKK] Focus chain II [auth KKK] Focus chain JD [auth EEE] Focus chain KD [auth EEE] Focus chain LE [auth FFF] Focus chain PH [auth JJJ] Focus chain RH [auth JJJ] Focus chain TJ [auth MMM] Focus chain VB [auth CCC] Focus chain VG [auth III] Focus chain XC [auth DDD] Focus chain XL [auth PPP] Focus chain YC [auth DDD] Interactions & Density Focus chain BB [auth BBB] Focus chain BF [auth GGG] Focus chain BG [auth HHH] Focus chain CG [auth HHH] Focus chain EJ [auth LLL] Focus chain EL [auth OOO] Focus chain FA [auth AAA] Focus chain FJ [auth LLL] Focus chain GA [auth AAA] Focus chain GJ [auth LLL] Focus chain HI [auth KKK] Focus chain II [auth KKK] Focus chain JD [auth EEE] Focus chain KD [auth EEE] Focus chain LE [auth FFF] Focus chain PH [auth JJJ] Focus chain RH [auth JJJ] Focus chain TJ [auth MMM] Focus chain VB [auth CCC] Focus chain VG [auth III] Focus chain XC [auth DDD] Focus chain XL [auth PPP] Focus chain YC [auth DDD]

Modified Residues 1 Unique
ID	Chains	Type	Formula	2D Diagram	Parent
MEN Query on MEN	B [auth BBB] D [auth DDD] F [auth FFF] H [auth HHH] J [auth JJJ] B [auth BBB], D [auth DDD], F [auth FFF], H [auth HHH], J [auth JJJ], L [auth LLL], N [auth NNN], P [auth PPP]	L-PEPTIDE LINKING	C₅ H₁₀ N₂ O₃		ASN

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.13 ?
R-Value Free: 0.225 (Depositor), 0.230 (DCC)
R-Value Work: 0.177 (Depositor), 0.190 (DCC)

Space Group: H 3 2

Unit Cell:

Length ( ? )	Angle ( ? )
a = 192.759	α = 90
b = 192.759	β = 90
c = 524.486	γ = 120

Software Package:

Software Name	Purpose
REFMAC	refinement
XDS	data processing
pointless	data scaling
Aimless	data scaling
STARANISO	data scaling
PHASER	phasing
XDS	data reduction

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2021-11-17

Deposition Author(s):

Funding Organization	Location	Grant Number
Department of Energy (DOE, United States)	United States	DE-SC0001035 (Office of Basic Energy Sciences)
Department of Biotechnology (DBT, India)	India	BT/PR15686/AAQ/3/811/2016 (UGC-BSR Faculty Fellowship)
Department of Biotechnology (DBT, India)	India	BT/IN/UK/DBT-BC/2017-18 (Newton-Bhabha fellowship)