Structure of PDB 5lri Chain M Binding Site BS08
Receptor Information
>5lri Chain M (length=300) Species:
272943
(Cereibacter sphaeroides 2.4.1) [
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YQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYL
GSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYG
LSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLS
AIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNPFH
GLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAALFW
RWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQNHG
Ligand information
Ligand ID
SPN
InChI
InChI=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
InChIKey
GWQAMGYOEYXWJF-YCDPMLDASA-N
SMILES
Software
SMILES
CACTVS 3.341
COC(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 1.5.0
CC(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 10.04
O=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 3.341
COC(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 1.5.0
CC(CCC=C(C)CCCCC(=CCCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)C)CCC=C(C)CCC=C(C)C
Formula
C41 H70 O2
Name
SPEROIDENONE
ChEMBL
DrugBank
ZINC
ZINC000064437266
PDB chain
5lri Chain M Residue 709 [
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Receptor-Ligand Complex Structure
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PDB
5lri
On the mechanism of ubiquinone mediated photocurrent generation by a reaction center based photocathode.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
F67 F68 I70 G71 W75 W115 S119 M122 W157 G161 W171 V175 Y177 H182
Binding residue
(residue number reindexed from 1)
F65 F66 I68 G69 W73 W113 S117 M120 W155 G159 W169 V173 Y175 H180
Annotation score
4
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:5lri
,
PDBe:5lri
,
PDBj:5lri
PDBsum
5lri
PubMed
27687473
UniProt
Q3J1A6
|RCEM_CERS4 Reaction center protein M chain (Gene Name=pufM)
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