Structure of PDB 7yml Chain R Binding Site BS01

Receptor Information
>7yml Chain R (length=43) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSFTGLTDEQAQELHAVYMSGLSAFIAVAVLAHLAVMIWRPWF
Ligand information
Ligand IDSPO
InChIInChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+
InChIKeyFJOCMTHZSURUFA-KXCOHNEYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C
CACTVS 3.341COC(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/C=C(\C)CC\C=C(/C)CCC=C(C)C
CACTVS 3.341COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O(C(C\C=C\C(=C\C=C\C(=C\C=C\C(=C/C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)C)C)C)(C)C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C
FormulaC41 H60 O
NameSPHEROIDENE
ChEMBL
DrugBank
ZINCZINC000064446704
PDB chain7yml Chain O Residue 104 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yml Rhodobacter capsulatus forms a compact crescent-shaped LH1-RC photocomplex.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L19 V22 G26 L27 F30
Binding residue
(residue number reindexed from 1)		L14 V17 G21 L22 F25
Annotation score4
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
View graph for
Cellular Component
External links
PDB RCSB:7yml, PDBe:7yml, PDBj:7yml
PDBsum7yml
PubMed36792596
UniProtP02950|LHB1_RHOCA Light-harvesting protein B-870 beta chain (Gene Name=pufB)

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