Structure of PDB 3h1i Chain R Binding Site BS01

Receptor Information
>3h1i Chain R (length=196) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHNDVTVPDFSAYRREDVMDATTSSQTSSEDRKGFSYLVTATACVATAYA
AKNVVTQFISSLSASADVLALSKIEIKLSDIPEGKNVAFKWRGKPLFVRH
RTQAEINQEAEVDVSKLRDPQHDLDRVKKPEWVILVGVCTHLGCVPIANS
GDFGGYYCPCHGSHYDASGRIRKGPAPYNLEVPTYQFVGDDLVVVG
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 chain3h1i Chain C Residue 2001 [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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PDB3h1i Electron Transfer by Domain Movement in Cytochrome Bc1
Resolution3.53 Å
Binding residue
(original residue number in PDB)		C160 H161
Binding residue
(residue number reindexed from 1)		C160 H161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H161
Catalytic site (residue number reindexed from 1) H161
Enzyme Commision number 7.1.1.8: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3h1i, PDBe:3h1i, PDBj:3h1i
PDBsum3h1i
PubMed9565029
UniProtQ5ZLR5|UCRI_CHICK Cytochrome b-c1 complex subunit Rieske, mitochondrial (Gene Name=UQCRFS1)

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