Structure of PDB 2gmr Chain M Binding Site BS08

Receptor Information
>2gmr Chain M (length=297) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYLG
SLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYGL
SFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLSA
IWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNPFHG
LSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAALFWR
WTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQN
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 chain2gmr Chain M Residue 312 [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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PDB2gmr Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water molecules.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F67 F68 I70 G71 W75 S119 F120 W157 F162 Y177 I179 H182
Binding residue
(residue number reindexed from 1)		F64 F65 I67 G68 W72 S116 F117 W154 F159 Y174 I176 H179
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:2gmr, PDBe:2gmr, PDBj:2gmr
PDBsum2gmr
PubMed17105193
UniProtP0C0Y9|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)

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