Structure of PDB 1rzz Chain S Binding Site BS08

Receptor Information
>1rzz Chain S (length=299) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYL
GSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYG
LSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLS
AIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNPFH
GLSIAFLYGSALLFAMHGATILAVSRFGGECELEQIADRGTAAERAALFW
RWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQNH
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 chain1rzz Chain S Residue 2010 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rzz X-Ray Structure Determination of Three Mutants of the Bacterial Photosynthetic Reaction Centers from Rb. sphaeroides; Altered Proton Transfer Pathways.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F67 I70 G71 W75 S119 W157 G161 F162 W171 G178 H182
Binding residue
(residue number reindexed from 1)		F65 I68 G69 W73 S117 W155 G159 F160 W169 G176 H180
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:0009772 photosynthetic electron transport in photosystem II
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
Cellular Component
GO:0016020 membrane
GO:0030077 plasma membrane light-harvesting complex
GO:0042717 plasma membrane-derived chromatophore membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rzz, PDBe:1rzz, PDBj:1rzz
PDBsum1rzz
PubMed15062092
UniProtP0C0Y9|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)

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