Structure of PDB 5kli Chain M Binding Site BS02

Receptor Information
>5kli Chain M (length=179) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTRRDFLYYATAGAGAVATGAAVWPLINQMNPSADVQALASIFVDVSSVE
PGVQLTVKFLGKPIFIRRRTEADIELGRSVQLGQLVDTNARNANIDAGAE
ATDQNRTLDEAGEWLVMWGVCTHLGCVPIGGVSGDFGGWFCPCHGSHYDS
AGRIRKGPAPENLPIPLAKFIDETTIQLG
Ligand information
Ligand IDSMA
InChIInChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12?,18-10+/t19-,21+,22-,29-/m0/s1
InChIKeyUZHDGDDPOPDJGM-WPPYOTIYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC
CACTVS 3.370CO[CH](C=CC=CC(C)=CC)[CH](C)[CH](OC)[CH](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1
OpenEye OEToolkits 1.7.2CC=C(C)C=CC=CC(C(C)C(C(C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC
CACTVS 3.370CO[C@@H](\C=C\C=C\C(C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1
FormulaC30 H42 O7
NameSTIGMATELLIN A
ChEMBL
DrugBank
ZINC
PDB chain5kli Chain O Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kli Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
Resolution2.996 Å
Binding residue
(original residue number in PDB)		C151 H152
Binding residue
(residue number reindexed from 1)		C143 H144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H152
Catalytic site (residue number reindexed from 1) H144
Enzyme Commision number 7.1.1.8: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5kli, PDBe:5kli, PDBj:5kli
PDBsum5kli
PubMed27758861
UniProtQ02762|UCRI_CERSP Ubiquinol-cytochrome c reductase iron-sulfur subunit (Gene Name=petA)

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