Structure of PDB 3zuw Chain M Binding Site BS07

Receptor Information
>3zuw Chain M (length=302) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPI
YLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPE
YGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAF
LSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNP
FHGLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAAL
FWRWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQN
HG
Ligand information
Ligand IDSPN
InChIInChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1
InChIKeyGWQAMGYOEYXWJF-YCDPMLDASA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC(C)(C)C(=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCCC\C(C)=C\CC[C@H](C)CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O=C(C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCCCC(=C/CCC(C)CC\C=C(/C)CC\C=C(/C)C)/C)C(OC)(C)C
CACTVS 3.341COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[CH](C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C
FormulaC41 H70 O2
NameSPEROIDENONE
ChEMBL
DrugBank
ZINCZINC000064437266
PDB chain3zuw Chain M Residue 1312 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3zuw Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
Resolution2.31 Å
Binding residue
(original residue number in PDB)		F67 F68 I70 G71 W75 S119 M122 W157 G161 V175 Y177 H182
Binding residue
(residue number reindexed from 1)		F67 F68 I70 G71 W75 S119 M122 W157 G161 V175 Y177 H182
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:3zuw, PDBe:3zuw, PDBj:3zuw
PDBsum3zuw
PubMed21970763
UniProtP0C0Y9|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)

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