5L8R

The structure of plant photosystem I super-complex at 2.6 angstrom resolution.

PDB DOI: https://doi.org/10.2210/pdb5L8R/pdb

Classification: OXIDOREDUCTASE
Organism(s): Pisum sativum
Mutation(s): No
Membrane Protein: Yes OPMPDBTMMemProtMD

Deposited: 2016-06-08 Released: 2017-03-15
Deposition Author(s): Mazor, Y., Borovikova, A., Caspy, I., Nelson, N.
Funding Organization(s): European Research Council, ISF, I-CORE

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.60 ?
R-Value Free: 0.232
R-Value Work: 0.210
R-Value Observed: 0.211

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.0 of the entry. See complete history.

Re-refinement Note

A newer entry is available that reflects an alternative modeling of the original data: 6ZXS

Literature

Structure of the plant photosystem I supercomplex at 2.6 angstrom resolution.

Mazor, Y., Borovikova, A., Caspy, I., Nelson, N.

(2017) Nat Plants 3: 17014-17014

PubMed: 28248295 Search on PubMed
DOI: https://doi.org/10.1038/nplants.2017.14
Primary Citation of Related Structures:
5L8R

PubMed Abstract:
Four elaborate membrane complexes carry out the light reaction of oxygenic photosynthesis. Photosystem I (PSI) is one of two large reaction centres responsible for converting light photons into the chemical energy needed to sustain life. In the thylakoid membranes of plants, PSI is found together with its integral light-harvesting antenna, light-harvesting complex I (LHCI), in a membrane supercomplex containing hundreds of light-harvesting pigments. Here, we report the crystal structure of plant PSI-LHCI at 2.6?? resolution. The structure reveals the configuration of PsaK, a core subunit important for state transitions in plants, a conserved network of water molecules surrounding the electron transfer centres and an elaborate structure of lipids bridging PSI and its LHCI antenna. We discuss the implications of the structure for energy transfer and the evolution of PSI.

Organizational Affiliation

Department of Biochemistry, The George S. Wise Faculty of Life Sciences, Tel Aviv University, Tel Aviv 69978, Israel.

Macromolecule Content

Total Structure Weight: 564.88 kDa
Atom Count: 37,583
Modelled Residue Count: 3,230
Deposited Residue Count: 3,375
Unique protein chains: 16

Macromolecules

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Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Lhca1	A [auth 1]	193	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for E1C9L2 (Pisum sativum) Explore E1C9L2 Go to UniProtKB: E1C9L2
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	E1C9L2
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Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Chlorophyll a-b binding protein, chloroplastic	B [auth 2]	269	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for Q41038 (Pisum sativum) Explore Q41038 Go to UniProtKB: Q41038
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Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q41038
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
Chlorophyll a-b binding protein 3, chloroplastic	C [auth 3]	275	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for Q32904 (Pisum sativum) Explore Q32904 Go to UniProtKB: Q32904
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UniProt Group	Q32904
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Reference Sequence

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Entity ID: 4
Molecule	Chains	Sequence Length	Organism	Details	Image
Chlorophyll a-b binding protein P4, chloroplastic	D [auth 4]	198	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for Q9SQL2 (Pisum sativum) Explore Q9SQL2 Go to UniProtKB: Q9SQL2
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UniProt Group	Q9SQL2
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Reference Sequence

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Entity ID: 5
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I P700 chlorophyll a apoprotein A1	E [auth A]	758	Pisum sativum	Mutation(s): 0 EC: 1.97.1.12 Membrane Entity: Yes
UniProt
Find proteins for P05310 (Pisum sativum) Explore P05310 Go to UniProtKB: P05310
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UniProt Group	P05310
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Reference Sequence

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Entity ID: 6
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I P700 chlorophyll a apoprotein A2	F [auth B]	734	Pisum sativum	Mutation(s): 0 EC: 1.97.1.12 Membrane Entity: Yes
UniProt
Find proteins for A0A0F6NGI2 (Pisum sativum) Explore A0A0F6NGI2 Go to UniProtKB: A0A0F6NGI2
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UniProt Group	A0A0F6NGI2
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Reference Sequence

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Entity ID: 7
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I iron-sulfur center	G [auth C]	81	Pisum sativum	Mutation(s): 0 EC: 1.97.1.12 Membrane Entity: Yes
UniProt
Find proteins for P10793 (Pisum sativum) Explore P10793 Go to UniProtKB: P10793
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UniProt Group	P10793
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Reference Sequence

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Entity ID: 8
Molecule	Chains	Sequence Length	Organism	Details	Image
PsaD	H [auth D]	143	Pisum sativum	Mutation(s): 0
UniProt
Find proteins for E1C9K8 (Pisum sativum) Explore E1C9K8 Go to UniProtKB: E1C9K8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	E1C9K8
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Reference Sequence

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Entity ID: 9
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative uncharacterized protein	I [auth E]	66	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for E1C9K6 (Pisum sativum) Explore E1C9K6 Go to UniProtKB: E1C9K6
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UniProt Group	E1C9K6
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Reference Sequence

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Entity ID: 10
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I reaction center subunit III	J [auth F]	154	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for A0A0M3KL12 (Pisum sativum) Explore A0A0M3KL12 Go to UniProtKB: A0A0M3KL12
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Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A0M3KL12
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Reference Sequence

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Entity ID: 11
Molecule	Chains	Sequence Length	Organism	Details	Image
PsaG	K [auth G]	97	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for Q9S7N7 (Arabidopsis thaliana) Explore Q9S7N7 Go to UniProtKB: Q9S7N7
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UniProt Group	Q9S7N7
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Reference Sequence

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Entity ID: 12
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I reaction center subunit VI	L [auth H]	88	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for A0A0M3KL10 (Pisum sativum) Explore A0A0M3KL10 Go to UniProtKB: A0A0M3KL10
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UniProt Group	A0A0M3KL10
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Reference Sequence

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Entity ID: 13
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I reaction center subunit VIII	M [auth I]	40	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for P17227 (Pisum sativum) Explore P17227 Go to UniProtKB: P17227
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UniProt Group	P17227
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Reference Sequence

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Entity ID: 14
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I reaction center subunit IX	N [auth J]	42	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for D5MAL3 (Pisum sativum) Explore D5MAL3 Go to UniProtKB: D5MAL3
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UniProt Group	D5MAL3
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Reference Sequence

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Entity ID: 15
Molecule	Chains	Sequence Length	Organism	Details	Image
Photosystem I reaction center subunit X psaK	O [auth K]	80	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for E1C9L3 (Pisum sativum) Explore E1C9L3 Go to UniProtKB: E1C9L3
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UniProt Group	E1C9L3
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Reference Sequence

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Entity ID: 16
Molecule	Chains	Sequence Length	Organism	Details	Image
Putative uncharacterized protein	P [auth L]	157	Pisum sativum	Mutation(s): 0 Membrane Entity: Yes
UniProt
Find proteins for E1C9L1 (Pisum sativum) Explore E1C9L1 Go to UniProtKB: E1C9L1
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UniProt Group	E1C9L1
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Reference Sequence

Small Molecules

Ligands 14 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
DGD Query on DGD Download Ideal Coordinates CCD File SDF format, chain EF [auth B] SDF format, chain FH [auth B] SDF format, chain II [auth J] SDF format, chain WC [auth 4] SDF format, chain WH [auth G] MOL2 format, chain EF [auth B] MOL2 format, chain FH [auth B] MOL2 format, chain II [auth J] MOL2 format, chain WC [auth 4] MOL2 format, chain WH [auth G] mmCIF format, chain EF [auth B] mmCIF format, chain FH [auth B] mmCIF format, chain II [auth J] mmCIF format, chain WC [auth 4] mmCIF format, chain WH [auth G]	EF [auth B], FH [auth B], II [auth J], WC [auth 4], WH [auth G]	DIGALACTOSYL DIACYL GLYCEROL (DGDG) C₅₁ H₉₆ O₁₅ LDQFLSUQYHBXSX-HXXRYREZSA-N		Interactions Focus chain EF [auth B] Focus chain FH [auth B] Focus chain II [auth J] Focus chain WC [auth 4] Focus chain WH [auth G] Interactions & Density Focus chain EF [auth B] Focus chain FH [auth B] Focus chain II [auth J] Focus chain WC [auth 4] Focus chain WH [auth G]
CHL Query on CHL Download Ideal Coordinates CCD File SDF format, chain RC [auth 4] SDF format, chain XA [auth 2] SDF format, chain ZA [auth 2] SDF format, chain AB [auth 2] SDF format, chain BA [auth 1] SDF format, chain DA [auth 1] SDF format, chain KA [auth 1] SDF format, chain KB [auth 2] SDF format, chain QC [auth 4] SDF format, chain TC [auth 4] SDF format, chain UC [auth 4] SDF format, chain WA [auth 2] SDF format, chain YB [auth 3] MOL2 format, chain RC [auth 4] MOL2 format, chain XA [auth 2] MOL2 format, chain ZA [auth 2] MOL2 format, chain AB [auth 2] MOL2 format, chain BA [auth 1] MOL2 format, chain DA [auth 1] MOL2 format, chain KA [auth 1] MOL2 format, chain KB [auth 2] MOL2 format, chain QC [auth 4] MOL2 format, chain TC [auth 4] MOL2 format, chain UC [auth 4] MOL2 format, chain WA [auth 2] MOL2 format, chain YB [auth 3] mmCIF format, chain RC [auth 4] mmCIF format, chain XA [auth 2] mmCIF format, chain ZA [auth 2] mmCIF format, chain AB [auth 2] mmCIF format, chain BA [auth 1] mmCIF format, chain DA [auth 1] mmCIF format, chain KA [auth 1] mmCIF format, chain KB [auth 2] mmCIF format, chain QC [auth 4] mmCIF format, chain TC [auth 4] mmCIF format, chain UC [auth 4] mmCIF format, chain WA [auth 2] mmCIF format, chain YB [auth 3]	AB [auth 2] BA [auth 1] DA [auth 1] KA [auth 1] KB [auth 2] AB [auth 2], BA [auth 1], DA [auth 1], KA [auth 1], KB [auth 2], QC [auth 4], RC [auth 4], TC [auth 4], UC [auth 4], WA [auth 2], XA [auth 2], YB [auth 3], ZA [auth 2]	CHLOROPHYLL B C₅₅ H₇₀ Mg N₄ O₆ MWVCRINOIIOUAU-UYSPMESUSA-M		Interactions Focus chain AB [auth 2] Focus chain BA [auth 1] Focus chain DA [auth 1] Focus chain KA [auth 1] Focus chain KB [auth 2] Focus chain QC [auth 4] Focus chain RC [auth 4] Focus chain TC [auth 4] Focus chain UC [auth 4] Focus chain WA [auth 2] Focus chain XA [auth 2] Focus chain YB [auth 3] Focus chain ZA [auth 2] Interactions & Density Focus chain AB [auth 2] Focus chain BA [auth 1] Focus chain DA [auth 1] Focus chain KA [auth 1] Focus chain KB [auth 2] Focus chain QC [auth 4] Focus chain RC [auth 4] Focus chain TC [auth 4] Focus chain UC [auth 4] Focus chain WA [auth 2] Focus chain XA [auth 2] Focus chain YB [auth 3] Focus chain ZA [auth 2]
CL0 Query on CL0 Download Ideal Coordinates CCD File SDF format, chain AD [auth A] MOL2 format, chain AD [auth A] mmCIF format, chain AD [auth A]	AD [auth A]	CHLOROPHYLL A ISOMER C₅₅ H₇₂ Mg N₄ O₅ VIQFHHZSLDFWDU-DVXFRRMCSA-M		Interactions Focus chain AD [auth A] Interactions & Density Focus chain AD [auth A]
CLA Query on CLA Download Ideal Coordinates CCD File SDF format, chain FG [auth B] SDF format, chain ID [auth A] SDF format, chain KE [auth A] SDF format, chain LD [auth A] SDF format, chain OG [auth B] SDF format, chain QF [auth B] SDF format, chain TB [auth 3] SDF format, chain TI [auth L] SDF format, chain AA [auth 1] SDF format, chain AC [auth 3] SDF format, chain AE [auth A] SDF format, chain AG [auth B] SDF format, chain AI [auth H] SDF format, chain BC [auth 3] SDF format, chain BD [auth A] SDF format, chain BE [auth A] SDF format, chain BF [auth A] SDF format, chain BG [auth B] SDF format, chain CA [auth 1] SDF format, chain CD [auth A] SDF format, chain CE [auth A] SDF format, chain CF [auth A] SDF format, chain CG [auth B] SDF format, chain DD [auth A] SDF format, chain DE [auth A] SDF format, chain DG [auth B] SDF format, chain DI [auth J] SDF format, chain EA [auth 1] SDF format, chain ED [auth A] SDF format, chain EE [auth A] SDF format, chain EG [auth B] SDF format, chain EI [auth J] SDF format, chain FA [auth 1] SDF format, chain FD [auth A] SDF format, chain FE [auth A] SDF format, chain GD [auth A] SDF format, chain GE [auth A] SDF format, chain GF [auth B] SDF format, chain GG [auth B] SDF format, chain HC [auth 4] SDF format, chain HD [auth A] SDF format, chain HE [auth A] SDF format, chain HF [auth B] SDF format, chain HG [auth B] SDF format, chain HI [auth J] SDF format, chain IC [auth 4] SDF format, chain IE [auth A] SDF format, chain IF [auth B] SDF format, chain IG [auth B] SDF format, chain JC [auth 4] SDF format, chain JD [auth A] SDF format, chain JE [auth A] SDF format, chain JF [auth B] SDF format, chain JG [auth B] SDF format, chain KC [auth 4] SDF format, chain KD [auth A] SDF format, chain KF [auth B] SDF format, chain KG [auth B] SDF format, chain LC [auth 4] SDF format, chain LE [auth A] SDF format, chain LF [auth B] SDF format, chain LG [auth B] SDF format, chain LH [auth F] SDF format, chain MC [auth 4] SDF format, chain MD [auth A] SDF format, chain ME [auth A] SDF format, chain MF [auth B] SDF format, chain MG [auth B] SDF format, chain MH [auth F] SDF format, chain MI [auth K] SDF format, chain NC [auth 4] SDF format, chain ND [auth A] SDF format, chain NE [auth A] SDF format, chain NF [auth B] SDF format, chain NG [auth B] SDF format, chain NI [auth K] SDF format, chain OA [auth 2] SDF format, chain OC [auth 4] SDF format, chain OD [auth A] SDF format, chain OE [auth A] SDF format, chain OF [auth B] SDF format, chain OI [auth K] SDF format, chain PA [auth 2] SDF format, chain PB [auth 3] SDF format, chain PC [auth 4] SDF format, chain PD [auth A] SDF format, chain PE [auth A] SDF format, chain PF [auth B] SDF format, chain PG [auth B] SDF format, chain PI [auth K] SDF format, chain QA [auth 2] SDF format, chain QB [auth 3] SDF format, chain QD [auth A] SDF format, chain QG [auth B] SDF format, chain QH [auth G] SDF format, chain RA [auth 2] SDF format, chain RB [auth 3] SDF format, chain RD [auth A] SDF format, chain RF [auth B] SDF format, chain RG [auth B] SDF format, chain RH [auth G] SDF format, chain RI [auth L] SDF format, chain SA [auth 2] SDF format, chain SB [auth 3] SDF format, chain SC [auth 4] SDF format, chain SD [auth A] SDF format, chain SF [auth B] SDF format, chain SH [auth G] SDF format, chain T [auth 1] SDF format, chain TA [auth 2] SDF format, chain TD [auth A] SDF format, chain TF [auth B] SDF format, chain TH [auth G] SDF format, chain U [auth 1] SDF format, chain UA [auth 2] SDF format, chain UB [auth 3] SDF format, chain UD [auth A] SDF format, chain UF [auth B] SDF format, chain UI [auth L] SDF format, chain V [auth 1] SDF format, chain VA [auth 2] SDF format, chain VB [auth 3] SDF format, chain VC [auth 4] SDF format, chain VD [auth A] SDF format, chain VF [auth B] SDF format, chain VI [auth L] SDF format, chain W [auth 1] SDF format, chain WB [auth 3] SDF format, chain WD [auth A] SDF format, chain WF [auth B] SDF format, chain X [auth 1] SDF format, chain XB [auth 3] SDF format, chain XD [auth A] SDF format, chain XF [auth B] SDF format, chain Y [auth 1] SDF format, chain YA [auth 2] SDF format, chain YD [auth A] SDF format, chain YF [auth B] SDF format, chain Z [auth 1] SDF format, chain ZB [auth 3] SDF format, chain ZD [auth A] SDF format, chain ZF [auth B] MOL2 format, chain FG [auth B] MOL2 format, chain ID [auth A] MOL2 format, chain KE [auth A] MOL2 format, chain LD [auth A] MOL2 format, chain OG [auth B] MOL2 format, chain QF [auth B] MOL2 format, chain TB [auth 3] MOL2 format, chain TI [auth L] MOL2 format, chain AA [auth 1] MOL2 format, chain AC [auth 3] MOL2 format, chain AE [auth A] MOL2 format, chain AG [auth B] MOL2 format, chain AI [auth H] MOL2 format, chain BC [auth 3] MOL2 format, chain BD [auth A] MOL2 format, chain BE [auth A] MOL2 format, chain BF [auth A] MOL2 format, chain BG [auth B] MOL2 format, chain CA [auth 1] MOL2 format, chain CD [auth A] MOL2 format, chain CE [auth A] MOL2 format, chain CF [auth A] MOL2 format, chain CG [auth B] MOL2 format, chain DD [auth A] MOL2 format, chain DE [auth A] MOL2 format, chain DG [auth B] MOL2 format, chain DI [auth J] MOL2 format, chain EA [auth 1] MOL2 format, chain ED [auth A] MOL2 format, chain EE [auth A] MOL2 format, chain EG [auth B] MOL2 format, chain EI [auth J] MOL2 format, chain FA [auth 1] MOL2 format, chain FD [auth A] MOL2 format, chain FE [auth A] MOL2 format, chain GD [auth A] MOL2 format, chain GE [auth A] MOL2 format, chain GF [auth B] MOL2 format, chain GG [auth B] MOL2 format, chain HC [auth 4] MOL2 format, chain HD [auth A] MOL2 format, chain HE [auth A] MOL2 format, chain HF [auth B] MOL2 format, chain HG [auth B] MOL2 format, chain HI [auth J] MOL2 format, chain IC [auth 4] MOL2 format, chain IE [auth A] MOL2 format, chain IF [auth B] MOL2 format, chain IG [auth B] MOL2 format, chain JC [auth 4] MOL2 format, chain JD [auth A] MOL2 format, chain JE [auth A] MOL2 format, chain JF [auth B] MOL2 format, chain JG [auth B] MOL2 format, chain KC [auth 4] MOL2 format, chain KD [auth A] MOL2 format, chain KF [auth B] MOL2 format, chain KG [auth B] MOL2 format, chain LC [auth 4] MOL2 format, chain LE [auth A] MOL2 format, chain LF [auth B] MOL2 format, chain LG [auth B] MOL2 format, chain LH [auth F] MOL2 format, chain MC [auth 4] MOL2 format, chain MD [auth A] MOL2 format, chain ME [auth A] MOL2 format, chain MF [auth B] MOL2 format, chain MG [auth B] MOL2 format, chain MH [auth F] MOL2 format, chain MI [auth K] MOL2 format, chain NC [auth 4] MOL2 format, chain ND [auth A] MOL2 format, chain NE [auth A] MOL2 format, chain NF [auth B] MOL2 format, chain NG [auth B] MOL2 format, chain NI [auth K] MOL2 format, chain OA [auth 2] MOL2 format, chain OC [auth 4] MOL2 format, chain OD [auth A] MOL2 format, chain OE [auth A] MOL2 format, chain OF [auth B] MOL2 format, chain OI [auth K] MOL2 format, chain PA [auth 2] MOL2 format, chain PB [auth 3] MOL2 format, chain PC [auth 4] MOL2 format, chain PD [auth A] MOL2 format, chain PE [auth A] MOL2 format, chain PF [auth B] MOL2 format, chain PG [auth B] MOL2 format, chain PI [auth K] MOL2 format, chain QA [auth 2] MOL2 format, chain QB [auth 3] MOL2 format, chain QD [auth A] MOL2 format, chain QG [auth B] MOL2 format, chain QH [auth G] MOL2 format, chain RA [auth 2] MOL2 format, chain RB [auth 3] MOL2 format, chain RD [auth A] MOL2 format, chain RF [auth B] MOL2 format, chain RG [auth B] MOL2 format, chain RH [auth G] MOL2 format, chain RI [auth L] MOL2 format, chain SA [auth 2] MOL2 format, chain SB [auth 3] MOL2 format, chain SC [auth 4] MOL2 format, chain SD [auth A] MOL2 format, chain SF [auth B] MOL2 format, chain SH [auth G] MOL2 format, chain T [auth 1] MOL2 format, chain TA [auth 2] MOL2 format, chain TD [auth A] MOL2 format, chain TF [auth B] MOL2 format, chain TH [auth G] MOL2 format, chain U [auth 1] MOL2 format, chain UA [auth 2] MOL2 format, chain UB [auth 3] MOL2 format, chain UD [auth A] MOL2 format, chain UF [auth B] MOL2 format, chain UI [auth L] MOL2 format, chain V [auth 1] MOL2 format, chain VA [auth 2] MOL2 format, chain VB [auth 3] MOL2 format, chain VC [auth 4] MOL2 format, chain VD [auth A] MOL2 format, chain VF [auth B] MOL2 format, chain VI [auth L] MOL2 format, chain W [auth 1] MOL2 format, chain WB [auth 3] MOL2 format, chain WD [auth A] MOL2 format, chain WF [auth B] MOL2 format, chain X [auth 1] MOL2 format, chain XB [auth 3] MOL2 format, chain XD [auth A] MOL2 format, chain XF [auth B] MOL2 format, chain Y [auth 1] MOL2 format, chain YA [auth 2] MOL2 format, chain YD [auth A] MOL2 format, chain YF [auth B] MOL2 format, chain Z [auth 1] MOL2 format, chain ZB [auth 3] MOL2 format, chain ZD [auth A] MOL2 format, chain ZF [auth B] mmCIF format, chain FG [auth B] mmCIF format, chain ID [auth A] mmCIF format, chain KE [auth A] mmCIF format, chain LD [auth A] mmCIF format, chain OG [auth B] mmCIF format, chain QF [auth B] mmCIF format, chain TB [auth 3] mmCIF format, chain TI [auth L] mmCIF format, chain AA [auth 1] mmCIF format, chain AC [auth 3] mmCIF format, chain AE [auth A] mmCIF format, chain AG [auth B] mmCIF format, chain AI [auth H] mmCIF format, chain BC [auth 3] mmCIF format, chain BD [auth A] mmCIF format, chain BE [auth A] mmCIF format, chain BF [auth A] mmCIF format, chain BG [auth B] mmCIF format, chain CA [auth 1] mmCIF format, chain CD [auth A] mmCIF format, chain CE [auth A] mmCIF format, chain CF [auth A] mmCIF format, chain CG [auth B] mmCIF format, chain DD [auth A] mmCIF format, chain DE [auth A] mmCIF format, chain DG [auth B] mmCIF format, chain DI [auth J] mmCIF format, chain EA [auth 1] mmCIF format, chain ED [auth A] mmCIF format, chain EE [auth A] mmCIF format, chain EG [auth B] mmCIF format, chain EI [auth J] mmCIF format, chain FA [auth 1] mmCIF format, chain FD [auth A] mmCIF format, chain FE [auth A] mmCIF format, chain GD [auth A] mmCIF format, chain GE [auth A] mmCIF format, chain GF [auth B] mmCIF format, chain GG [auth B] mmCIF format, chain HC [auth 4] mmCIF format, chain HD [auth A] mmCIF format, chain HE [auth A] mmCIF format, chain HF [auth B] mmCIF format, chain HG [auth B] mmCIF format, chain HI [auth J] mmCIF format, chain IC [auth 4] mmCIF format, chain IE [auth A] mmCIF format, chain IF [auth B] mmCIF format, chain IG [auth B] mmCIF format, chain JC [auth 4] mmCIF format, chain JD [auth A] mmCIF format, chain JE [auth A] mmCIF format, chain JF [auth B] mmCIF format, chain JG [auth B] mmCIF format, chain KC [auth 4] mmCIF format, chain KD [auth A] mmCIF format, chain KF [auth B] mmCIF format, chain KG [auth B] mmCIF format, chain LC [auth 4] mmCIF format, chain LE [auth A] mmCIF format, chain LF [auth B] mmCIF format, chain LG [auth B] mmCIF format, chain LH [auth F] mmCIF format, chain MC [auth 4] mmCIF format, chain MD [auth A] mmCIF format, chain ME [auth A] mmCIF format, chain MF [auth B] mmCIF format, chain MG [auth B] mmCIF format, chain MH [auth F] mmCIF format, chain MI [auth K] mmCIF format, chain NC [auth 4] mmCIF format, chain ND [auth A] mmCIF format, chain NE [auth A] mmCIF format, chain NF [auth B] mmCIF format, chain NG [auth B] mmCIF format, chain NI [auth K] mmCIF format, chain OA [auth 2] mmCIF format, chain OC [auth 4] mmCIF format, chain OD [auth A] mmCIF format, chain OE [auth A] mmCIF format, chain OF [auth B] mmCIF format, chain OI [auth K] mmCIF format, chain PA [auth 2] mmCIF format, chain PB [auth 3] mmCIF format, chain PC [auth 4] mmCIF format, chain PD [auth A] mmCIF format, chain PE [auth A] mmCIF format, chain PF [auth B] mmCIF format, chain PG [auth B] mmCIF format, chain PI [auth K] mmCIF format, chain QA [auth 2] mmCIF format, chain QB [auth 3] mmCIF format, chain QD [auth A] mmCIF format, chain QG [auth B] mmCIF format, chain QH [auth G] mmCIF format, chain RA [auth 2] mmCIF format, chain RB [auth 3] mmCIF format, chain RD [auth A] mmCIF format, chain RF [auth B] mmCIF format, chain RG [auth B] mmCIF format, chain RH [auth G] mmCIF format, chain RI [auth L] mmCIF format, chain SA [auth 2] mmCIF format, chain SB [auth 3] mmCIF format, chain SC [auth 4] mmCIF format, chain SD [auth A] mmCIF format, chain SF [auth B] mmCIF format, chain SH [auth G] mmCIF format, chain T [auth 1] mmCIF format, chain TA [auth 2] mmCIF format, chain TD [auth A] mmCIF format, chain TF [auth B] mmCIF format, chain TH [auth G] mmCIF format, chain U [auth 1] mmCIF format, chain UA [auth 2] mmCIF format, chain UB [auth 3] mmCIF format, chain UD [auth A] mmCIF format, chain UF [auth B] mmCIF format, chain UI [auth L] mmCIF format, chain V [auth 1] mmCIF format, chain VA [auth 2] mmCIF format, chain VB [auth 3] mmCIF format, chain VC [auth 4] mmCIF format, chain VD [auth A] mmCIF format, chain VF [auth B] mmCIF format, chain VI [auth L] mmCIF format, chain W [auth 1] mmCIF format, chain WB [auth 3] mmCIF format, chain WD [auth A] mmCIF format, chain WF [auth B] mmCIF format, chain X [auth 1] mmCIF format, chain XB [auth 3] mmCIF format, chain XD [auth A] mmCIF format, chain XF [auth B] mmCIF format, chain Y [auth 1] mmCIF format, chain YA [auth 2] mmCIF format, chain YD [auth A] mmCIF format, chain YF [auth B] mmCIF format, chain Z [auth 1] mmCIF format, chain ZB [auth 3] mmCIF format, chain ZD [auth A] mmCIF format, chain ZF [auth B]	AA [auth 1] AC [auth 3] AE [auth A] AG [auth B] AI [auth H] AA [auth 1], AC [auth 3], AE [auth A], AG [auth B], AI [auth H], BC [auth 3], BD [auth A], BE [auth A], BF [auth A], BG [auth B], CA [auth 1], CD [auth A], CE [auth A], CF [auth A], CG [auth B], DD [auth A], DE [auth A], DG [auth B], DI [auth J], EA [auth 1], ED [auth A], EE [auth A], EG [auth B], EI [auth J], FA [auth 1], FD [auth A], FE [auth A], FG [auth B], GD [auth A], GE [auth A], GF [auth B], GG [auth B], HC [auth 4], HD [auth A], HE [auth A], HF [auth B], HG [auth B], HI [auth J], IC [auth 4], ID [auth A], IE [auth A], IF [auth B], IG [auth B], JC [auth 4], JD [auth A], JE [auth A], JF [auth B], JG [auth B], KC [auth 4], KD [auth A], KE [auth A], KF [auth B], KG [auth B], LC [auth 4], LD [auth A], LE [auth A], LF [auth B], LG [auth B], LH [auth F], MC [auth 4], MD [auth A], ME [auth A], MF [auth B], MG [auth B], MH [auth F], MI [auth K], NC [auth 4], ND [auth A], NE [auth A], NF [auth B], NG [auth B], NI [auth K], OA [auth 2], OC [auth 4], OD [auth A], OE [auth A], OF [auth B], OG [auth B], OI [auth K], PA [auth 2], PB [auth 3], PC [auth 4], PD [auth A], PE [auth A], PF [auth B], PG [auth B], PI [auth K], QA [auth 2], QB [auth 3], QD [auth A], QF [auth B], QG [auth B], QH [auth G], RA [auth 2], RB [auth 3], RD [auth A], RF [auth B], RG [auth B], RH [auth G], RI [auth L], SA [auth 2], SB [auth 3], SC [auth 4], SD [auth A], SF [auth B], SH [auth G], T [auth 1], TA [auth 2], TB [auth 3], TD [auth A], TF [auth B], TH [auth G], TI [auth L], U [auth 1], UA [auth 2], UB [auth 3], UD [auth A], UF [auth B], UI [auth L], V [auth 1], VA [auth 2], VB [auth 3], VC [auth 4], VD [auth A], VF [auth B], VI [auth L], W [auth 1], WB [auth 3], WD [auth A], WF [auth B], X [auth 1], XB [auth 3], XD [auth A], XF [auth B], Y [auth 1], YA [auth 2], YD [auth A], YF [auth B], Z [auth 1], ZB [auth 3], ZD [auth A], ZF [auth B]	CHLOROPHYLL A C₅₅ H₇₂ Mg N₄ O₅ ATNHDLDRLWWWCB-AENOIHSZSA-M		Interactions Focus chain AA [auth 1] Focus chain AC [auth 3] Focus chain AE [auth A] Focus chain AG [auth B] Focus chain AI [auth H] Focus chain BC [auth 3] Focus chain BD [auth A] Focus chain BE [auth A] Focus chain BF [auth A] Focus chain BG [auth B] Focus chain CA [auth 1] Focus chain CD [auth A] Focus chain CE [auth A] Focus chain CF [auth A] Focus chain CG [auth B] Focus chain DD [auth A] Focus chain DE [auth A] Focus chain DG [auth B] Focus chain DI [auth J] Focus chain EA [auth 1] Focus chain ED [auth A] Focus chain EE [auth A] Focus chain EG [auth B] Focus chain EI [auth J] Focus chain FA [auth 1] Focus chain FD [auth A] Focus chain FE [auth A] Focus chain FG [auth B] Focus chain GD [auth A] Focus chain GE [auth A] Focus chain GF [auth B] Focus chain GG [auth B] Focus chain HC [auth 4] Focus chain HD [auth A] Focus chain HE [auth A] Focus chain HF [auth B] Focus chain HG [auth B] Focus chain HI [auth J] Focus chain IC [auth 4] Focus chain ID [auth A] Focus chain IE [auth A] Focus chain IF [auth B] Focus chain IG [auth B] Focus chain JC [auth 4] Focus chain JD [auth A] Focus chain JE [auth A] Focus chain JF [auth B] Focus chain JG [auth B] Focus chain KC [auth 4] Focus chain KD [auth A] Focus chain KE [auth A] Focus chain KF [auth B] Focus chain KG [auth B] Focus chain LC [auth 4] Focus chain LD [auth A] Focus chain LE [auth A] Focus chain LF [auth B] Focus chain LG [auth B] Focus chain LH [auth F] Focus chain MC [auth 4] Focus chain MD [auth A] Focus chain ME [auth A] Focus chain MF [auth B] Focus chain MG [auth B] Focus chain MH [auth F] Focus chain MI [auth K] Focus chain NC [auth 4] Focus chain ND [auth A] Focus chain NE [auth A] Focus chain NF [auth B] Focus chain NG [auth B] Focus chain NI [auth K] Focus chain OA [auth 2] Focus chain OC [auth 4] Focus chain OD [auth A] Focus chain OE [auth A] Focus chain OF [auth B] Focus chain OG [auth B] Focus chain OI [auth K] Focus chain PA [auth 2] Focus chain PB [auth 3] Focus chain PC [auth 4] Focus chain PD [auth A] Focus chain PE [auth A] Focus chain PF [auth B] Focus chain PG [auth B] Focus chain PI [auth K] Focus chain QA [auth 2] Focus chain QB [auth 3] Focus chain QD [auth A] Focus chain QF [auth B] Focus chain QG [auth B] Focus chain QH [auth G] Focus chain RA [auth 2] Focus chain RB [auth 3] Focus chain RD [auth A] Focus chain RF [auth B] Focus chain RG [auth B] Focus chain RH [auth G] Focus chain RI [auth L] Focus chain SA [auth 2] Focus chain SB [auth 3] Focus chain SC [auth 4] Focus chain SD [auth A] Focus chain SF [auth B] Focus chain SH [auth G] Focus chain T [auth 1] Focus chain TA [auth 2] Focus chain TB [auth 3] Focus chain TD [auth A] Focus chain TF [auth B] Focus chain TH [auth G] Focus chain TI [auth L] Focus chain U [auth 1] Focus chain UA [auth 2] Focus chain UB [auth 3] Focus chain UD [auth A] Focus chain UF [auth B] Focus chain UI [auth L] Focus chain V [auth 1] Focus chain VA [auth 2] Focus chain VB [auth 3] Focus chain VC [auth 4] Focus chain VD [auth A] Focus chain VF [auth B] Focus chain VI [auth L] Focus chain W [auth 1] Focus chain WB [auth 3] Focus chain WD [auth A] Focus chain WF [auth B] Focus chain X [auth 1] Focus chain XB [auth 3] Focus chain XD [auth A] Focus chain XF [auth B] Focus chain Y [auth 1] Focus chain YA [auth 2] Focus chain YD [auth A] Focus chain YF [auth B] Focus chain Z [auth 1] Focus chain ZB [auth 3] Focus chain ZD [auth A] Focus chain ZF [auth B] Interactions & Density Focus chain AA [auth 1] Focus chain AC [auth 3] Focus chain AE [auth A] Focus chain AG [auth B] Focus chain AI [auth H] Focus chain BC [auth 3] Focus chain BD [auth A] Focus chain BE [auth A] Focus chain BF [auth A] Focus chain BG [auth B] Focus chain CA [auth 1] Focus chain CD [auth A] Focus chain CE [auth A] Focus chain CF [auth A] Focus chain CG [auth B] Focus chain DD [auth A] Focus chain DE [auth A] Focus chain DG [auth B] Focus chain DI [auth J] Focus chain EA [auth 1] Focus chain ED [auth A] Focus chain EE [auth A] Focus chain EG [auth B] Focus chain EI [auth J] Focus chain FA [auth 1] Focus chain FD [auth A] Focus chain FE [auth A] Focus chain FG [auth B] Focus chain GD [auth A] Focus chain GE [auth A] Focus chain GF [auth B] Focus chain GG [auth B] Focus chain HC [auth 4] Focus chain HD [auth A] Focus chain HE [auth A] Focus chain HF [auth B] Focus chain HG [auth B] Focus chain HI [auth J] Focus chain IC [auth 4] Focus chain ID [auth A] Focus chain IE [auth A] Focus chain IF [auth B] Focus chain IG [auth B] Focus chain JC [auth 4] Focus chain JD [auth A] Focus chain JE [auth A] Focus chain JF [auth B] Focus chain JG [auth B] Focus chain KC [auth 4] Focus chain KD [auth A] Focus chain KE [auth A] Focus chain KF [auth B] Focus chain KG [auth B] Focus chain LC [auth 4] Focus chain LD [auth A] Focus chain LE [auth A] Focus chain LF [auth B] Focus chain LG [auth B] Focus chain LH [auth F] Focus chain MC [auth 4] Focus chain MD [auth A] Focus chain ME [auth A] Focus chain MF [auth B] Focus chain MG [auth B] Focus chain MH [auth F] Focus chain MI [auth K] Focus chain NC [auth 4] Focus chain ND [auth A] Focus chain NE [auth A] Focus chain NF [auth B] Focus chain NG [auth B] Focus chain NI [auth K] Focus chain OA [auth 2] Focus chain OC [auth 4] Focus chain OD [auth A] Focus chain OE [auth A] Focus chain OF [auth B] Focus chain OG [auth B] Focus chain OI [auth K] Focus chain PA [auth 2] Focus chain PB [auth 3] Focus chain PC [auth 4] Focus chain PD [auth A] Focus chain PE [auth A] Focus chain PF [auth B] Focus chain PG [auth B] Focus chain PI [auth K] Focus chain QA [auth 2] Focus chain QB [auth 3] Focus chain QD [auth A] Focus chain QF [auth B] Focus chain QG [auth B] Focus chain QH [auth G] Focus chain RA [auth 2] Focus chain RB [auth 3] Focus chain RD [auth A] Focus chain RF [auth B] Focus chain RG [auth B] Focus chain RH [auth G] Focus chain RI [auth L] Focus chain SA [auth 2] Focus chain SB [auth 3] Focus chain SC [auth 4] Focus chain SD [auth A] Focus chain SF [auth B] Focus chain SH [auth G] Focus chain T [auth 1] Focus chain TA [auth 2] Focus chain TB [auth 3] Focus chain TD [auth A] Focus chain TF [auth B] Focus chain TH [auth G] Focus chain TI [auth L] Focus chain U [auth 1] Focus chain UA [auth 2] Focus chain UB [auth 3] Focus chain UD [auth A] Focus chain UF [auth B] Focus chain UI [auth L] Focus chain V [auth 1] Focus chain VA [auth 2] Focus chain VB [auth 3] Focus chain VC [auth 4] Focus chain VD [auth A] Focus chain VF [auth B] Focus chain VI [auth L] Focus chain W [auth 1] Focus chain WB [auth 3] Focus chain WD [auth A] Focus chain WF [auth B] Focus chain X [auth 1] Focus chain XB [auth 3] Focus chain XD [auth A] Focus chain XF [auth B] Focus chain Y [auth 1] Focus chain YA [auth 2] Focus chain YD [auth A] Focus chain YF [auth B] Focus chain Z [auth 1] Focus chain ZB [auth 3] Focus chain ZD [auth A] Focus chain ZF [auth B]
LMG Query on LMG Download Ideal Coordinates CCD File SDF format, chain JB [auth 2] SDF format, chain CB [auth 2] SDF format, chain DB [auth 2] SDF format, chain EB [auth 2] SDF format, chain FB [auth 2] SDF format, chain FI [auth J] SDF format, chain GB [auth 2] SDF format, chain GI [auth J] SDF format, chain HA [auth 1] SDF format, chain IA [auth 1] SDF format, chain IB [auth 2] SDF format, chain NH [auth F] SDF format, chain OH [auth F] SDF format, chain UE [auth A] SDF format, chain VG [auth B] SDF format, chain VH [auth G] SDF format, chain WG [auth B] SDF format, chain YC [auth 4] SDF format, chain ZC [auth 4] SDF format, chain ZH [auth G] MOL2 format, chain JB [auth 2] MOL2 format, chain CB [auth 2] MOL2 format, chain DB [auth 2] MOL2 format, chain EB [auth 2] MOL2 format, chain FB [auth 2] MOL2 format, chain FI [auth J] MOL2 format, chain GB [auth 2] MOL2 format, chain GI [auth J] MOL2 format, chain HA [auth 1] MOL2 format, chain IA [auth 1] MOL2 format, chain IB [auth 2] MOL2 format, chain NH [auth F] MOL2 format, chain OH [auth F] MOL2 format, chain UE [auth A] MOL2 format, chain VG [auth B] MOL2 format, chain VH [auth G] MOL2 format, chain WG [auth B] MOL2 format, chain YC [auth 4] MOL2 format, chain ZC [auth 4] MOL2 format, chain ZH [auth G] mmCIF format, chain JB [auth 2] mmCIF format, chain CB [auth 2] mmCIF format, chain DB [auth 2] mmCIF format, chain EB [auth 2] mmCIF format, chain FB [auth 2] mmCIF format, chain FI [auth J] mmCIF format, chain GB [auth 2] mmCIF format, chain GI [auth J] mmCIF format, chain HA [auth 1] mmCIF format, chain IA [auth 1] mmCIF format, chain IB [auth 2] mmCIF format, chain NH [auth F] mmCIF format, chain OH [auth F] mmCIF format, chain UE [auth A] mmCIF format, chain VG [auth B] mmCIF format, chain VH [auth G] mmCIF format, chain WG [auth B] mmCIF format, chain YC [auth 4] mmCIF format, chain ZC [auth 4] mmCIF format, chain ZH [auth G]	CB [auth 2] DB [auth 2] EB [auth 2] FB [auth 2] FI [auth J] CB [auth 2], DB [auth 2], EB [auth 2], FB [auth 2], FI [auth J], GB [auth 2], GI [auth J], HA [auth 1], IA [auth 1], IB [auth 2], JB [auth 2], NH [auth F], OH [auth F], UE [auth A], VG [auth B], VH [auth G], WG [auth B], YC [auth 4], ZC [auth 4], ZH [auth G]	1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE C₄₅ H₈₆ O₁₀ DCLTVZLYPPIIID-CVELTQQQSA-N		Interactions Focus chain CB [auth 2] Focus chain DB [auth 2] Focus chain EB [auth 2] Focus chain FB [auth 2] Focus chain FI [auth J] Focus chain GB [auth 2] Focus chain GI [auth J] Focus chain HA [auth 1] Focus chain IA [auth 1] Focus chain IB [auth 2] Focus chain JB [auth 2] Focus chain NH [auth F] Focus chain OH [auth F] Focus chain UE [auth A] Focus chain VG [auth B] Focus chain VH [auth G] Focus chain WG [auth B] Focus chain YC [auth 4] Focus chain ZC [auth 4] Focus chain ZH [auth G] Interactions & Density Focus chain CB [auth 2] Focus chain DB [auth 2] Focus chain EB [auth 2] Focus chain FB [auth 2] Focus chain FI [auth J] Focus chain GB [auth 2] Focus chain GI [auth J] Focus chain HA [auth 1] Focus chain IA [auth 1] Focus chain IB [auth 2] Focus chain JB [auth 2] Focus chain NH [auth F] Focus chain OH [auth F] Focus chain UE [auth A] Focus chain VG [auth B] Focus chain VH [auth G] Focus chain WG [auth B] Focus chain YC [auth 4] Focus chain ZC [auth 4] Focus chain ZH [auth G]
LHG Query on LHG Download Ideal Coordinates CCD File SDF format, chain AF [auth A] SDF format, chain BB [auth 2] SDF format, chain GA [auth 1] SDF format, chain JA [auth 1] SDF format, chain SE [auth A] SDF format, chain TG [auth B] SDF format, chain UG [auth B] MOL2 format, chain AF [auth A] MOL2 format, chain BB [auth 2] MOL2 format, chain GA [auth 1] MOL2 format, chain JA [auth 1] MOL2 format, chain SE [auth A] MOL2 format, chain TG [auth B] MOL2 format, chain UG [auth B] mmCIF format, chain AF [auth A] mmCIF format, chain BB [auth 2] mmCIF format, chain GA [auth 1] mmCIF format, chain JA [auth 1] mmCIF format, chain SE [auth A] mmCIF format, chain TG [auth B] mmCIF format, chain UG [auth B]	AF [auth A] BB [auth 2] GA [auth 1] JA [auth 1] SE [auth A] AF [auth A], BB [auth 2], GA [auth 1], JA [auth 1], SE [auth A], TG [auth B], UG [auth B]	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE C₃₈ H₇₅ O₁₀ P BIABMEZBCHDPBV-MPQUPPDSSA-N		Interactions Focus chain AF [auth A] Focus chain BB [auth 2] Focus chain GA [auth 1] Focus chain JA [auth 1] Focus chain SE [auth A] Focus chain TG [auth B] Focus chain UG [auth B] Interactions & Density Focus chain AF [auth A] Focus chain BB [auth 2] Focus chain GA [auth 1] Focus chain JA [auth 1] Focus chain SE [auth A] Focus chain TG [auth B] Focus chain UG [auth B]
XAT Query on XAT Download Ideal Coordinates CCD File SDF format, chain MA [auth 2] SDF format, chain GC [auth 4] MOL2 format, chain MA [auth 2] MOL2 format, chain GC [auth 4] mmCIF format, chain MA [auth 2] mmCIF format, chain GC [auth 4]	GC [auth 4], MA [auth 2]	(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL C₄₀ H₅₆ O₄ SZCBXWMUOPQSOX-WVJDLNGLSA-N		Interactions Focus chain GC [auth 4] Focus chain MA [auth 2] Interactions & Density Focus chain GC [auth 4] Focus chain MA [auth 2]
ZEX Query on ZEX Download Ideal Coordinates CCD File SDF format, chain KH [auth F] MOL2 format, chain KH [auth F] mmCIF format, chain KH [auth F]	KH [auth F]	(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol C₄₀ H₅₆ O₂ YRMDXLDAZBQLBK-WIHRHFSMSA-N		Interactions Focus chain KH [auth F] Interactions & Density Focus chain KH [auth F]
LUT Query on LUT Download Ideal Coordinates CCD File SDF format, chain FC [auth 4] SDF format, chain LA [auth 2] SDF format, chain LB [auth 3] SDF format, chain LI [auth J] SDF format, chain MB [auth 3] SDF format, chain Q [auth 1] SDF format, chain R [auth 1] MOL2 format, chain FC [auth 4] MOL2 format, chain LA [auth 2] MOL2 format, chain LB [auth 3] MOL2 format, chain LI [auth J] MOL2 format, chain MB [auth 3] MOL2 format, chain Q [auth 1] MOL2 format, chain R [auth 1] mmCIF format, chain FC [auth 4] mmCIF format, chain LA [auth 2] mmCIF format, chain LB [auth 3] mmCIF format, chain LI [auth J] mmCIF format, chain MB [auth 3] mmCIF format, chain Q [auth 1] mmCIF format, chain R [auth 1]	FC [auth 4] LA [auth 2] LB [auth 3] LI [auth J] MB [auth 3] FC [auth 4], LA [auth 2], LB [auth 3], LI [auth J], MB [auth 3], Q [auth 1], R [auth 1]	(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL C₄₀ H₅₆ O₂ KBPHJBAIARWVSC-NSIPBSJQSA-N		Interactions Focus chain FC [auth 4] Focus chain LA [auth 2] Focus chain LB [auth 3] Focus chain LI [auth J] Focus chain MB [auth 3] Focus chain Q [auth 1] Focus chain R [auth 1] Interactions & Density Focus chain FC [auth 4] Focus chain LA [auth 2] Focus chain LB [auth 3] Focus chain LI [auth J] Focus chain MB [auth 3] Focus chain Q [auth 1] Focus chain R [auth 1]
BCR Query on BCR Download Ideal Coordinates CCD File SDF format, chain BI [auth I] SDF format, chain WI [auth L] SDF format, chain AH [auth B] SDF format, chain BH [auth B] SDF format, chain CH [auth B] SDF format, chain CI [auth I] SDF format, chain DF [auth A] SDF format, chain DH [auth B] SDF format, chain EC [auth 4] SDF format, chain EH [auth B] SDF format, chain FF [auth B] SDF format, chain HH [auth B] SDF format, chain KI [auth J] SDF format, chain NA [auth 2] SDF format, chain NB [auth 3] SDF format, chain OB [auth 3] SDF format, chain PH [auth F] SDF format, chain QI [auth K] SDF format, chain S [auth 1] SDF format, chain SI [auth L] SDF format, chain UH [auth G] SDF format, chain VE [auth A] SDF format, chain WE [auth A] SDF format, chain XE [auth A] SDF format, chain XI [auth L] SDF format, chain YE [auth A] SDF format, chain ZE [auth A] MOL2 format, chain BI [auth I] MOL2 format, chain WI [auth L] MOL2 format, chain AH [auth B] MOL2 format, chain BH [auth B] MOL2 format, chain CH [auth B] MOL2 format, chain CI [auth I] MOL2 format, chain DF [auth A] MOL2 format, chain DH [auth B] MOL2 format, chain EC [auth 4] MOL2 format, chain EH [auth B] MOL2 format, chain FF [auth B] MOL2 format, chain HH [auth B] MOL2 format, chain KI [auth J] MOL2 format, chain NA [auth 2] MOL2 format, chain NB [auth 3] MOL2 format, chain OB [auth 3] MOL2 format, chain PH [auth F] MOL2 format, chain QI [auth K] MOL2 format, chain S [auth 1] MOL2 format, chain SI [auth L] MOL2 format, chain UH [auth G] MOL2 format, chain VE [auth A] MOL2 format, chain WE [auth A] MOL2 format, chain XE [auth A] MOL2 format, chain XI [auth L] MOL2 format, chain YE [auth A] MOL2 format, chain ZE [auth A] mmCIF format, chain BI [auth I] mmCIF format, chain WI [auth L] mmCIF format, chain AH [auth B] mmCIF format, chain BH [auth B] mmCIF format, chain CH [auth B] mmCIF format, chain CI [auth I] mmCIF format, chain DF [auth A] mmCIF format, chain DH [auth B] mmCIF format, chain EC [auth 4] mmCIF format, chain EH [auth B] mmCIF format, chain FF [auth B] mmCIF format, chain HH [auth B] mmCIF format, chain KI [auth J] mmCIF format, chain NA [auth 2] mmCIF format, chain NB [auth 3] mmCIF format, chain OB [auth 3] mmCIF format, chain PH [auth F] mmCIF format, chain QI [auth K] mmCIF format, chain S [auth 1] mmCIF format, chain SI [auth L] mmCIF format, chain UH [auth G] mmCIF format, chain VE [auth A] mmCIF format, chain WE [auth A] mmCIF format, chain XE [auth A] mmCIF format, chain XI [auth L] mmCIF format, chain YE [auth A] mmCIF format, chain ZE [auth A]	AH [auth B] BH [auth B] BI [auth I] CH [auth B] CI [auth I] AH [auth B], BH [auth B], BI [auth I], CH [auth B], CI [auth I], DF [auth A], DH [auth B], EC [auth 4], EH [auth B], FF [auth B], HH [auth B], KI [auth J], NA [auth 2], NB [auth 3], OB [auth 3], PH [auth F], QI [auth K], S [auth 1], SI [auth L], UH [auth G], VE [auth A], WE [auth A], WI [auth L], XE [auth A], XI [auth L], YE [auth A], ZE [auth A]	BETA-CAROTENE C₄₀ H₅₆ OENHQHLEOONYIE-JLTXGRSLSA-N		Interactions Focus chain AH [auth B] Focus chain BH [auth B] Focus chain BI [auth I] Focus chain CH [auth B] Focus chain CI [auth I] Focus chain DF [auth A] Focus chain DH [auth B] Focus chain EC [auth 4] Focus chain EH [auth B] Focus chain FF [auth B] Focus chain HH [auth B] Focus chain KI [auth J] Focus chain NA [auth 2] Focus chain NB [auth 3] Focus chain OB [auth 3] Focus chain PH [auth F] Focus chain QI [auth K] Focus chain S [auth 1] Focus chain SI [auth L] Focus chain UH [auth G] Focus chain VE [auth A] Focus chain WE [auth A] Focus chain WI [auth L] Focus chain XE [auth A] Focus chain XI [auth L] Focus chain YE [auth A] Focus chain ZE [auth A] Interactions & Density Focus chain AH [auth B] Focus chain BH [auth B] Focus chain BI [auth I] Focus chain CH [auth B] Focus chain CI [auth I] Focus chain DF [auth A] Focus chain DH [auth B] Focus chain EC [auth 4] Focus chain EH [auth B] Focus chain FF [auth B] Focus chain HH [auth B] Focus chain KI [auth J] Focus chain NA [auth 2] Focus chain NB [auth 3] Focus chain OB [auth 3] Focus chain PH [auth F] Focus chain QI [auth K] Focus chain S [auth 1] Focus chain SI [auth L] Focus chain UH [auth G] Focus chain VE [auth A] Focus chain WE [auth A] Focus chain WI [auth L] Focus chain XE [auth A] Focus chain XI [auth L] Focus chain YE [auth A] Focus chain ZE [auth A]
LMT Query on LMT Download Ideal Coordinates CCD File SDF format, chain JI [auth J] SDF format, chain CC [auth 3] SDF format, chain GH [auth B] SDF format, chain HB [auth 2] SDF format, chain TE [auth A] SDF format, chain XC [auth 4] SDF format, chain XG [auth B] SDF format, chain XH [auth G] SDF format, chain YG [auth B] SDF format, chain YH [auth G] MOL2 format, chain JI [auth J] MOL2 format, chain CC [auth 3] MOL2 format, chain GH [auth B] MOL2 format, chain HB [auth 2] MOL2 format, chain TE [auth A] MOL2 format, chain XC [auth 4] MOL2 format, chain XG [auth B] MOL2 format, chain XH [auth G] MOL2 format, chain YG [auth B] MOL2 format, chain YH [auth G] mmCIF format, chain JI [auth J] mmCIF format, chain CC [auth 3] mmCIF format, chain GH [auth B] mmCIF format, chain HB [auth 2] mmCIF format, chain TE [auth A] mmCIF format, chain XC [auth 4] mmCIF format, chain XG [auth B] mmCIF format, chain XH [auth G] mmCIF format, chain YG [auth B] mmCIF format, chain YH [auth G]	CC [auth 3] GH [auth B] HB [auth 2] JI [auth J] TE [auth A] CC [auth 3], GH [auth B], HB [auth 2], JI [auth J], TE [auth A], XC [auth 4], XG [auth B], XH [auth G], YG [auth B], YH [auth G]	DODECYL-BETA-D-MALTOSIDE C₂₄ H₄₆ O₁₁ NLEBIOOXCVAHBD-QKMCSOCLSA-N		Interactions Focus chain CC [auth 3] Focus chain GH [auth B] Focus chain HB [auth 2] Focus chain JI [auth J] Focus chain TE [auth A] Focus chain XC [auth 4] Focus chain XG [auth B] Focus chain XH [auth G] Focus chain YG [auth B] Focus chain YH [auth G] Interactions & Density Focus chain CC [auth 3] Focus chain GH [auth B] Focus chain HB [auth 2] Focus chain JI [auth J] Focus chain TE [auth A] Focus chain XC [auth 4] Focus chain XG [auth B] Focus chain XH [auth G] Focus chain YG [auth B] Focus chain YH [auth G]
PQN Query on PQN Download Ideal Coordinates CCD File SDF format, chain RE [auth A] SDF format, chain SG [auth B] MOL2 format, chain RE [auth A] MOL2 format, chain SG [auth B] mmCIF format, chain RE [auth A] mmCIF format, chain SG [auth B]	RE [auth A], SG [auth B]	PHYLLOQUINONE C₃₁ H₄₆ O₂ MBWXNTAXLNYFJB-NKFFZRIASA-N		Interactions Focus chain RE [auth A] Focus chain SG [auth B] Interactions & Density Focus chain RE [auth A] Focus chain SG [auth B]
SF4 Query on SF4 Download Ideal Coordinates CCD File SDF format, chain IH [auth C] SDF format, chain JH [auth C] SDF format, chain QE [auth A] MOL2 format, chain IH [auth C] MOL2 format, chain JH [auth C] MOL2 format, chain QE [auth A] mmCIF format, chain IH [auth C] mmCIF format, chain JH [auth C] mmCIF format, chain QE [auth A]	IH [auth C], JH [auth C], QE [auth A]	IRON/SULFUR CLUSTER Fe₄ S₄ LJBDFODJNLIPKO-UHFFFAOYSA-N		Interactions Focus chain IH [auth C] Focus chain JH [auth C] Focus chain QE [auth A] Interactions & Density Focus chain IH [auth C] Focus chain JH [auth C] Focus chain QE [auth A]
CA Query on CA Download Ideal Coordinates CCD File SDF format, chain DC [auth 3] SDF format, chain ZG [auth B] MOL2 format, chain DC [auth 3] MOL2 format, chain ZG [auth B] mmCIF format, chain DC [auth 3] mmCIF format, chain ZG [auth B]	DC [auth 3], ZG [auth B]	CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N		Interactions Focus chain DC [auth 3] Focus chain ZG [auth B] Interactions & Density Focus chain DC [auth 3] Focus chain ZG [auth B]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.60 ?
R-Value Free: 0.232
R-Value Work: 0.210
R-Value Observed: 0.211
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( ? )	Angle ( ? )
a = 189.611	α = 90
b = 200.994	β = 90
c = 212.943	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
XDS	data reduction
Aimless	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2017-03-15

Deposition Author(s):

Funding Organization	Location	Grant Number
European Research Council	Israel	293579
ISF	Israel	71/14
I-CORE	Israel	1775/12

Revision History (Full details and data files)

Version 1.0: 2017-03-15
Type: Initial release
Version 1.1: 2017-11-08
Changes: Structure summary
Version 1.2: 2017-11-29
Changes: Database references
Version 1.3: 2019-04-24
Changes: Advisory, Author supporting evidence, Data collection
Version 2.0: 2024-10-23
Changes: Data collection, Database references, Derived calculations, Non-polymer description, Structure summary

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

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Deposit Data

Help and Resources

5L8R

The structure of plant photosystem I super-complex at 2.6 angstrom resolution.

Structure of the plant photosystem I supercomplex at 2.6 angstrom resolution.

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Experimental Data

Structure Validation

Ligand Structure Quality Assessment

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