9AW7 | pdb_00009aw7

Yeast 20S proteasome soaked with isolated TMC-95B

PDB DOI: https://doi.org/10.2210/pdb9AW7/pdb

Classification: HYDROLASE
Organism(s): Saccharomyces cerevisiae
Mutation(s): No

Deposited: 2024-03-05 Released: 2025-03-19
Deposition Author(s): Meneghello, R., Rustiguel, J.K., Fernandes, A.Z.N., Trivella, D.B.B.
Funding Organization(s): Other private, Sao Paulo Research Foundation (FAPESP)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.91 ?
R-Value Free:
0.232 (Depositor), 0.232 (DCC)
R-Value Work:
0.194 (Depositor), 0.194 (DCC)
R-Value Observed:
0.196 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

High-throughput protein crystallography to empower natural product-based drug discovery

Meneghello, R., Rustiguel, J.K., Araujo, E.A., Felicio, R., Fernandes, A.Z.N., Ferreira, E.L.F., Gubiani, J.R., Takeda, A.A.S., Souza, A.A., Silva, C.C.L., Bertonha, A.F., Trindade, D.M., Cunha, T.M., Cardoso, A.C., Dessen, A., Berlinck, R.G.S., Nascimento, Z.F.Z., Trivella, D.B.B.

To be published.

Macromolecule Content

Total Structure Weight: 741.03 kDa
Atom Count: 50,383
Modelled Residue Count: 6,345
Deposited Residue Count: 6,586
Unique protein chains: 14

Macromolecules

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Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE8 isoform 1	A, H [auth O]	250	Saccharomyces cerevisiae	Mutation(s): 0
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
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Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE9 isoform 1	B, I [auth P]	258	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE6 isoform 1	C, J [auth Q]	254	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 4
Molecule	Chains	Sequence Length	Organism	Details	Image
PUP2 isoform 1	D, K [auth R]	260	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 5
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE5 isoform 1	E, L [auth S]	234	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 6
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE10 isoform 1	F, M [auth T]	287	Saccharomyces cerevisiae	Mutation(s): 0
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Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
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Reference Sequence

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Entity ID: 7
Molecule	Chains	Sequence Length	Organism	Details	Image
Proteasome subunit alpha type-1	G, N [auth U]	252	Saccharomyces cerevisiae	Mutation(s): 0
UniProt
Find proteins for P21243 (Saccharomyces cerevisiae (strain ATCC 204508 / S288c)) Explore P21243 Go to UniProtKB: P21243
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P21243
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Reference Sequence

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Entity ID: 8
Molecule	Chains	Sequence Length	Organism	Details	Image
proteasome endopeptidase complex	O [auth H], V	232	Saccharomyces cerevisiae	Mutation(s): 0 EC: 3.4.25.1
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Reference Sequence

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Entity ID: 9
Molecule	Chains	Sequence Length	Organism	Details	Image
PUP3 isoform 1	P [auth I], W	205	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 10
Molecule	Chains	Sequence Length	Organism	Details	Image
Proteasome subunit beta	Q [auth J], X	198	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 11
Molecule	Chains	Sequence Length	Organism	Details	Image
proteasome endopeptidase complex	R [auth K], Y	212	Saccharomyces cerevisiae	Mutation(s): 0 EC: 3.4.25.1
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Reference Sequence

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Entity ID: 12
Molecule	Chains	Sequence Length	Organism	Details	Image
PRE7 isoform 1	S [auth L], Z	222	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 13
Molecule	Chains	Sequence Length	Organism	Details	Image
Proteasome subunit beta	AA [auth a], T [auth M]	233	Saccharomyces cerevisiae	Mutation(s): 0
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Reference Sequence

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Entity ID: 14
Molecule	Chains	Sequence Length	Organism	Details	Image
Proteasome subunit beta type-1	BA [auth b], U [auth N]	196	Saccharomyces cerevisiae	Mutation(s): 0 EC: 3.4.25.1
UniProt
Find proteins for P38624 (Saccharomyces cerevisiae (strain ATCC 204508 / S288c)) Explore P38624 Go to UniProtKB: P38624
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UniProt Group	P38624
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Reference Sequence

Small Molecules

Ligands 5 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
A1AHA (Subject of Investigation/LOI) Query on A1AHA Download Ideal Coordinates CCD File SDF format, chain DD [auth Y] SDF format, chain FB [auth H] SDF format, chain OC [auth N] SDF format, chain RB [auth K] SDF format, chain TC [auth V] SDF format, chain ZD [auth b] MOL2 format, chain DD [auth Y] MOL2 format, chain FB [auth H] MOL2 format, chain OC [auth N] MOL2 format, chain RB [auth K] MOL2 format, chain TC [auth V] MOL2 format, chain ZD [auth b] mmCIF format, chain DD [auth Y] mmCIF format, chain FB [auth H] mmCIF format, chain OC [auth N] mmCIF format, chain RB [auth K] mmCIF format, chain TC [auth V] mmCIF format, chain ZD [auth b]	DD [auth Y] FB [auth H] OC [auth N] RB [auth K] TC [auth V] DD [auth Y], FB [auth H], OC [auth N], RB [auth K], TC [auth V], ZD [auth b]	TMC-95B C₃₃ H₄₀ N₆ O₁₀ ZFRUGHBQNDDFAE-MWLBPRBSSA-N		Interactions Focus chain DD [auth Y] Focus chain FB [auth H] Focus chain OC [auth N] Focus chain RB [auth K] Focus chain TC [auth V] Focus chain ZD [auth b] Interactions & Density Focus chain DD [auth Y] Focus chain FB [auth H] Focus chain OC [auth N] Focus chain RB [auth K] Focus chain TC [auth V] Focus chain ZD [auth b]
MPD Query on MPD Download Ideal Coordinates CCD File SDF format, chain SB [auth K] MOL2 format, chain SB [auth K] mmCIF format, chain SB [auth K]	SB [auth K]	(4S)-2-METHYL-2,4-PENTANEDIOL C₆ H₁₄ O₂ SVTBMSDMJJWYQN-YFKPBYRVSA-N		Interactions Focus chain SB [auth K] Interactions & Density Focus chain SB [auth K]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain AB [auth T] SDF format, chain AC [auth K] SDF format, chain AD [auth X] SDF format, chain AE [auth b] SDF format, chain BD [auth X] SDF format, chain BE [auth b] SDF format, chain CA [auth B] SDF format, chain CB [auth U] SDF format, chain CC [auth L] SDF format, chain CD [auth X] SDF format, chain CE [auth b] SDF format, chain DA [auth B] SDF format, chain DB [auth U] SDF format, chain DC [auth L] SDF format, chain EA [auth B] SDF format, chain EB [auth U] SDF format, chain EC [auth L] SDF format, chain FA [auth B] SDF format, chain FC [auth L] SDF format, chain FD [auth Y] SDF format, chain GA [auth C] SDF format, chain GC [auth M] SDF format, chain GD [auth Y] SDF format, chain HA [auth D] SDF format, chain HB [auth H] SDF format, chain HC [auth M] SDF format, chain HD [auth Y] SDF format, chain IA [auth D] SDF format, chain IB [auth H] SDF format, chain IC [auth M] SDF format, chain ID [auth Y] SDF format, chain JA [auth E] SDF format, chain JB [auth H] SDF format, chain JC [auth M] SDF format, chain JD [auth Y] SDF format, chain KA [auth E] SDF format, chain KB [auth H] SDF format, chain KC [auth M] SDF format, chain KD [auth Y] SDF format, chain LA [auth F] SDF format, chain LC [auth M] SDF format, chain MA [auth F] SDF format, chain MB [auth I] SDF format, chain MC [auth M] SDF format, chain MD [auth Z] SDF format, chain NB [auth J] SDF format, chain NC [auth M] SDF format, chain ND [auth Z] SDF format, chain OB [auth J] SDF format, chain OD [auth Z] SDF format, chain PA [auth G] SDF format, chain PB [auth J] SDF format, chain PC [auth N] SDF format, chain PD [auth Z] SDF format, chain QA [auth G] SDF format, chain QB [auth J] SDF format, chain QC [auth N] SDF format, chain QD [auth Z] SDF format, chain RA [auth P] SDF format, chain RC [auth N] SDF format, chain RD [auth Z] SDF format, chain SA [auth P] SDF format, chain SD [auth a] SDF format, chain TA [auth Q] SDF format, chain TD [auth a] SDF format, chain UA [auth R] SDF format, chain UB [auth K] SDF format, chain UD [auth a] SDF format, chain VA [auth S] SDF format, chain VB [auth K] SDF format, chain VC [auth V] SDF format, chain VD [auth a] SDF format, chain WA [auth S] SDF format, chain WB [auth K] SDF format, chain WC [auth V] SDF format, chain WD [auth a] SDF format, chain XA [auth S] SDF format, chain XB [auth K] SDF format, chain XC [auth V] SDF format, chain XD [auth a] SDF format, chain YA [auth T] SDF format, chain YB [auth K] SDF format, chain YD [auth a] SDF format, chain ZA [auth T] SDF format, chain ZB [auth K] MOL2 format, chain AB [auth T] MOL2 format, chain AC [auth K] MOL2 format, chain AD [auth X] MOL2 format, chain AE [auth b] MOL2 format, chain BD [auth X] MOL2 format, chain BE [auth b] MOL2 format, chain CA [auth B] MOL2 format, chain CB [auth U] MOL2 format, chain CC [auth L] MOL2 format, chain CD [auth X] MOL2 format, chain CE [auth b] MOL2 format, chain DA [auth B] MOL2 format, chain DB [auth U] MOL2 format, chain DC [auth L] MOL2 format, chain EA [auth B] MOL2 format, chain EB [auth U] MOL2 format, chain EC [auth L] MOL2 format, chain FA [auth B] MOL2 format, chain FC [auth L] MOL2 format, chain FD [auth Y] MOL2 format, chain GA [auth C] MOL2 format, chain GC [auth M] MOL2 format, chain GD [auth Y] MOL2 format, chain HA [auth D] MOL2 format, chain HB [auth H] MOL2 format, chain HC [auth M] MOL2 format, chain HD [auth Y] MOL2 format, chain IA [auth D] MOL2 format, chain IB [auth H] MOL2 format, chain IC [auth M] MOL2 format, chain ID [auth Y] MOL2 format, chain JA [auth E] MOL2 format, chain JB [auth H] MOL2 format, chain JC [auth M] MOL2 format, chain JD [auth Y] MOL2 format, chain KA [auth E] MOL2 format, chain KB [auth H] MOL2 format, chain KC [auth M] MOL2 format, chain KD [auth Y] MOL2 format, chain LA [auth F] MOL2 format, chain LC [auth M] MOL2 format, chain MA [auth F] MOL2 format, chain MB [auth I] MOL2 format, chain MC [auth M] MOL2 format, chain MD [auth Z] MOL2 format, chain NB [auth J] MOL2 format, chain NC [auth M] MOL2 format, chain ND [auth Z] MOL2 format, chain OB [auth J] MOL2 format, chain OD [auth Z] MOL2 format, chain PA [auth G] MOL2 format, chain PB [auth J] MOL2 format, chain PC [auth N] MOL2 format, chain PD [auth Z] MOL2 format, chain QA [auth G] MOL2 format, chain QB [auth J] MOL2 format, chain QC [auth N] MOL2 format, chain QD [auth Z] MOL2 format, chain RA [auth P] MOL2 format, chain RC [auth N] MOL2 format, chain RD [auth Z] MOL2 format, chain SA [auth P] MOL2 format, chain SD [auth a] MOL2 format, chain TA [auth Q] MOL2 format, chain TD [auth a] MOL2 format, chain UA [auth R] MOL2 format, chain UB [auth K] MOL2 format, chain UD [auth a] MOL2 format, chain VA [auth S] MOL2 format, chain VB [auth K] MOL2 format, chain VC [auth V] MOL2 format, chain VD [auth a] MOL2 format, chain WA [auth S] MOL2 format, chain WB [auth K] MOL2 format, chain WC [auth V] MOL2 format, chain WD [auth a] MOL2 format, chain XA [auth S] MOL2 format, chain XB [auth K] MOL2 format, chain XC [auth V] MOL2 format, chain XD [auth a] MOL2 format, chain YA [auth T] MOL2 format, chain YB [auth K] MOL2 format, chain YD [auth a] MOL2 format, chain ZA [auth T] MOL2 format, chain ZB [auth K] mmCIF format, chain AB [auth T] mmCIF format, chain AC [auth K] mmCIF format, chain AD [auth X] mmCIF format, chain AE [auth b] mmCIF format, chain BD [auth X] mmCIF format, chain BE [auth b] mmCIF format, chain CA [auth B] mmCIF format, chain CB [auth U] mmCIF format, chain CC [auth L] mmCIF format, chain CD [auth X] mmCIF format, chain CE [auth b] mmCIF format, chain DA [auth B] mmCIF format, chain DB [auth U] mmCIF format, chain DC [auth L] mmCIF format, chain EA [auth B] mmCIF format, chain EB [auth U] mmCIF format, chain EC [auth L] mmCIF format, chain FA [auth B] mmCIF format, chain FC [auth L] mmCIF format, chain FD [auth Y] mmCIF format, chain GA [auth C] mmCIF format, chain GC [auth M] mmCIF format, chain GD [auth Y] mmCIF format, chain HA [auth D] mmCIF format, chain HB [auth H] mmCIF format, chain HC [auth M] mmCIF format, chain HD [auth Y] mmCIF format, chain IA [auth D] mmCIF format, chain IB [auth H] mmCIF format, chain IC [auth M] mmCIF format, chain ID [auth Y] mmCIF format, chain JA [auth E] mmCIF format, chain JB [auth H] mmCIF format, chain JC [auth M] mmCIF format, chain JD [auth Y] mmCIF format, chain KA [auth E] mmCIF format, chain KB [auth H] mmCIF format, chain KC [auth M] mmCIF format, chain KD [auth Y] mmCIF format, chain LA [auth F] mmCIF format, chain LC [auth M] mmCIF format, chain MA [auth F] mmCIF format, chain MB [auth I] mmCIF format, chain MC [auth M] mmCIF format, chain MD [auth Z] mmCIF format, chain NB [auth J] mmCIF format, chain NC [auth M] mmCIF format, chain ND [auth Z] mmCIF format, chain OB [auth J] mmCIF format, chain OD [auth Z] mmCIF format, chain PA [auth G] mmCIF format, chain PB [auth J] mmCIF format, chain PC [auth N] mmCIF format, chain PD [auth Z] mmCIF format, chain QA [auth G] mmCIF format, chain QB [auth J] mmCIF format, chain QC [auth N] mmCIF format, chain QD [auth Z] mmCIF format, chain RA [auth P] mmCIF format, chain RC [auth N] mmCIF format, chain RD [auth Z] mmCIF format, chain SA [auth P] mmCIF format, chain SD [auth a] mmCIF format, chain TA [auth Q] mmCIF format, chain TD [auth a] mmCIF format, chain UA [auth R] mmCIF format, chain UB [auth K] mmCIF format, chain UD [auth a] mmCIF format, chain VA [auth S] mmCIF format, chain VB [auth K] mmCIF format, chain VC [auth V] mmCIF format, chain VD [auth a] mmCIF format, chain WA [auth S] mmCIF format, chain WB [auth K] mmCIF format, chain WC [auth V] mmCIF format, chain WD [auth a] mmCIF format, chain XA [auth S] mmCIF format, chain XB [auth K] mmCIF format, chain XC [auth V] mmCIF format, chain XD [auth a] mmCIF format, chain YA [auth T] mmCIF format, chain YB [auth K] mmCIF format, chain YD [auth a] mmCIF format, chain ZA [auth T] mmCIF format, chain ZB [auth K]	AB [auth T] AC [auth K] AD [auth X] AE [auth b] BD [auth X] AB [auth T], AC [auth K], AD [auth X], AE [auth b], BD [auth X], BE [auth b], CA [auth B], CB [auth U], CC [auth L], CD [auth X], CE [auth b], DA [auth B], DB [auth U], DC [auth L], EA [auth B], EB [auth U], EC [auth L], FA [auth B], FC [auth L], FD [auth Y], GA [auth C], GC [auth M], GD [auth Y], HA [auth D], HB [auth H], HC [auth M], HD [auth Y], IA [auth D], IB [auth H], IC [auth M], ID [auth Y], JA [auth E], JB [auth H], JC [auth M], JD [auth Y], KA [auth E], KB [auth H], KC [auth M], KD [auth Y], LA [auth F], LC [auth M], MA [auth F], MB [auth I], MC [auth M], MD [auth Z], NB [auth J], NC [auth M], ND [auth Z], OB [auth J], OD [auth Z], PA [auth G], PB [auth J], PC [auth N], PD [auth Z], QA [auth G], QB [auth J], QC [auth N], QD [auth Z], RA [auth P], RC [auth N], RD [auth Z], SA [auth P], SD [auth a], TA [auth Q], TD [auth a], UA [auth R], UB [auth K], UD [auth a], VA [auth S], VB [auth K], VC [auth V], VD [auth a], WA [auth S], WB [auth K], WC [auth V], WD [auth a], XA [auth S], XB [auth K], XC [auth V], XD [auth a], YA [auth T], YB [auth K], YD [auth a], ZA [auth T], ZB [auth K]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain AB [auth T] Focus chain AC [auth K] Focus chain AD [auth X] Focus chain AE [auth b] Focus chain BD [auth X] Focus chain BE [auth b] Focus chain CA [auth B] Focus chain CB [auth U] Focus chain CC [auth L] Focus chain CD [auth X] Focus chain CE [auth b] Focus chain DA [auth B] Focus chain DB [auth U] Focus chain DC [auth L] Focus chain EA [auth B] Focus chain EB [auth U] Focus chain EC [auth L] Focus chain FA [auth B] Focus chain FC [auth L] Focus chain FD [auth Y] Focus chain GA [auth C] Focus chain GC [auth M] Focus chain GD [auth Y] Focus chain HA [auth D] Focus chain HB [auth H] Focus chain HC [auth M] Focus chain HD [auth Y] Focus chain IA [auth D] Focus chain IB [auth H] Focus chain IC [auth M] Focus chain ID [auth Y] Focus chain JA [auth E] Focus chain JB [auth H] Focus chain JC [auth M] Focus chain JD [auth Y] Focus chain KA [auth E] Focus chain KB [auth H] Focus chain KC [auth M] Focus chain KD [auth Y] Focus chain LA [auth F] Focus chain LC [auth M] Focus chain MA [auth F] Focus chain MB [auth I] Focus chain MC [auth M] Focus chain MD [auth Z] Focus chain NB [auth J] Focus chain NC [auth M] Focus chain ND [auth Z] Focus chain OB [auth J] Focus chain OD [auth Z] Focus chain PA [auth G] Focus chain PB [auth J] Focus chain PC [auth N] Focus chain PD [auth Z] Focus chain QA [auth G] Focus chain QB [auth J] Focus chain QC [auth N] Focus chain QD [auth Z] Focus chain RA [auth P] Focus chain RC [auth N] Focus chain RD [auth Z] Focus chain SA [auth P] Focus chain SD [auth a] Focus chain TA [auth Q] Focus chain TD [auth a] Focus chain UA [auth R] Focus chain UB [auth K] Focus chain UD [auth a] Focus chain VA [auth S] Focus chain VB [auth K] Focus chain VC [auth V] Focus chain VD [auth a] Focus chain WA [auth S] Focus chain WB [auth K] Focus chain WC [auth V] Focus chain WD [auth a] Focus chain XA [auth S] Focus chain XB [auth K] Focus chain XC [auth V] Focus chain XD [auth a] Focus chain YA [auth T] Focus chain YB [auth K] Focus chain YD [auth a] Focus chain ZA [auth T] Focus chain ZB [auth K] Interactions & Density Focus chain AB [auth T] Focus chain AC [auth K] Focus chain AD [auth X] Focus chain AE [auth b] Focus chain BD [auth X] Focus chain BE [auth b] Focus chain CA [auth B] Focus chain CB [auth U] Focus chain CC [auth L] Focus chain CD [auth X] Focus chain CE [auth b] Focus chain DA [auth B] Focus chain DB [auth U] Focus chain DC [auth L] Focus chain EA [auth B] Focus chain EB [auth U] Focus chain EC [auth L] Focus chain FA [auth B] Focus chain FC [auth L] Focus chain FD [auth Y] Focus chain GA [auth C] Focus chain GC [auth M] Focus chain GD [auth Y] Focus chain HA [auth D] Focus chain HB [auth H] Focus chain HC [auth M] Focus chain HD [auth Y] Focus chain IA [auth D] Focus chain IB [auth H] Focus chain IC [auth M] Focus chain ID [auth Y] Focus chain JA [auth E] Focus chain JB [auth H] Focus chain JC [auth M] Focus chain JD [auth Y] Focus chain KA [auth E] Focus chain KB [auth H] Focus chain KC [auth M] Focus chain KD [auth Y] Focus chain LA [auth F] Focus chain LC [auth M] Focus chain MA [auth F] Focus chain MB [auth I] Focus chain MC [auth M] Focus chain MD [auth Z] Focus chain NB [auth J] Focus chain NC [auth M] Focus chain ND [auth Z] Focus chain OB [auth J] Focus chain OD [auth Z] Focus chain PA [auth G] Focus chain PB [auth J] Focus chain PC [auth N] Focus chain PD [auth Z] Focus chain QA [auth G] Focus chain QB [auth J] Focus chain QC [auth N] Focus chain QD [auth Z] Focus chain RA [auth P] Focus chain RC [auth N] Focus chain RD [auth Z] Focus chain SA [auth P] Focus chain SD [auth a] Focus chain TA [auth Q] Focus chain TD [auth a] Focus chain UA [auth R] Focus chain UB [auth K] Focus chain UD [auth a] Focus chain VA [auth S] Focus chain VB [auth K] Focus chain VC [auth V] Focus chain VD [auth a] Focus chain WA [auth S] Focus chain WB [auth K] Focus chain WC [auth V] Focus chain WD [auth a] Focus chain XA [auth S] Focus chain XB [auth K] Focus chain XC [auth V] Focus chain XD [auth a] Focus chain YA [auth T] Focus chain YB [auth K] Focus chain YD [auth a] Focus chain ZA [auth T] Focus chain ZB [auth K]
ACY Query on ACY Download Ideal Coordinates CCD File SDF format, chain SC [auth V] MOL2 format, chain SC [auth V] mmCIF format, chain SC [auth V]	SC [auth V]	ACETIC ACID C₂ H₄ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-N		Interactions Focus chain SC [auth V] Interactions & Density Focus chain SC [auth V]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain BB [auth U] SDF format, chain BC [auth L] SDF format, chain ED [auth Y] SDF format, chain GB [auth H] SDF format, chain LB [auth I] SDF format, chain LD [auth Z] SDF format, chain NA [auth G] SDF format, chain OA [auth G] SDF format, chain TB [auth K] SDF format, chain UC [auth V] SDF format, chain YC [auth W] SDF format, chain ZC [auth X] MOL2 format, chain BB [auth U] MOL2 format, chain BC [auth L] MOL2 format, chain ED [auth Y] MOL2 format, chain GB [auth H] MOL2 format, chain LB [auth I] MOL2 format, chain LD [auth Z] MOL2 format, chain NA [auth G] MOL2 format, chain OA [auth G] MOL2 format, chain TB [auth K] MOL2 format, chain UC [auth V] MOL2 format, chain YC [auth W] MOL2 format, chain ZC [auth X] mmCIF format, chain BB [auth U] mmCIF format, chain BC [auth L] mmCIF format, chain ED [auth Y] mmCIF format, chain GB [auth H] mmCIF format, chain LB [auth I] mmCIF format, chain LD [auth Z] mmCIF format, chain NA [auth G] mmCIF format, chain OA [auth G] mmCIF format, chain TB [auth K] mmCIF format, chain UC [auth V] mmCIF format, chain YC [auth W] mmCIF format, chain ZC [auth X]	BB [auth U] BC [auth L] ED [auth Y] GB [auth H] LB [auth I] BB [auth U], BC [auth L], ED [auth Y], GB [auth H], LB [auth I], LD [auth Z], NA [auth G], OA [auth G], TB [auth K], UC [auth V], YC [auth W], ZC [auth X]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain BB [auth U] Focus chain BC [auth L] Focus chain ED [auth Y] Focus chain GB [auth H] Focus chain LB [auth I] Focus chain LD [auth Z] Focus chain NA [auth G] Focus chain OA [auth G] Focus chain TB [auth K] Focus chain UC [auth V] Focus chain YC [auth W] Focus chain ZC [auth X] Interactions & Density Focus chain BB [auth U] Focus chain BC [auth L] Focus chain ED [auth Y] Focus chain GB [auth H] Focus chain LB [auth I] Focus chain LD [auth Z] Focus chain NA [auth G] Focus chain OA [auth G] Focus chain TB [auth K] Focus chain UC [auth V] Focus chain YC [auth W] Focus chain ZC [auth X]