Structure of PDB 6zxa Chain D Binding Site BS05

Receptor Information
>6zxa Chain D (length=44) Species: 765910 (Marichromatium purpuratum 984) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANLSGLTDAQAKEFHEHWKHGVWSWVMIASAVHVVTWIYQPWF
Ligand information
Ligand IDQS2
InChIInChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22-,36-24+
InChIKeyFSQZIFSGNDUYRQ-KKGQYTAFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(C)(C)CCC(=O)C(/C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\c1ccc(C)c(C)c1C
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C
CACTVS 3.385COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C
FormulaC41 H54 O2
Name9-cis-okenone
ChEMBL
DrugBank
ZINC
PDB chain6zxa Chain E Residue 103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zxa The 2.4 angstrom cryo-EM structure of a heptameric light-harvesting 2 complex reveals two carotenoid energy transfer pathways.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		W28 S29 M32 I33
Binding residue
(residue number reindexed from 1)		W24 S25 M28 I29
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872 metal ion binding
Biological Process
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030076 light-harvesting complex
GO:0030077 plasma membrane light-harvesting complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zxa, PDBe:6zxa, PDBj:6zxa
PDBsum6zxa
PubMed33579696
UniProtW0E5B0

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