Structure of PDB 2qjp Chain L Binding Site BS01

Receptor Information
>2qjp Chain L (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 chain2qjp Chain G Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qjp Inhibitor-complexed structures of the cytochrome bc1 from the photosynthetic bacterium Rhodobacter sphaeroides.
Resolution2.6 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:2qjp, PDBe:2qjp, PDBj:2qjp
PDBsum2qjp
PubMed18039651
UniProtQ02762|UCRI_CERSP Ubiquinol-cytochrome c reductase iron-sulfur subunit (Gene Name=petA)

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