Structure of PDB 3cxh Chain E Binding Site BS02

Receptor Information
>3cxh Chain E (length=185) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSTYRTPNFDDVLKENNDADKGRSYAYFMVGAMGLLSSAGAKSTVETFIS
SMTATADVLAMAKVEVNLAAIPLGKNVVVKWQGKPVFIRHRTPHEIQEAN
SVDMSALKDPQTDADRVKDPQWLIMLGICTHLGCVPIGEAGDFGGWFCPC
HGSHYDISGRIRKGPAPLNLEIPAYEFDGDKVIVG
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 chain3cxh Chain N Residue 4025 [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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PDB3cxh Structure of complex III with bound cytochrome c in reduced state and definition of a minimal core interface for electron transfer.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C180 H181
Binding residue
(residue number reindexed from 1)		C150 H151
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H181
Catalytic site (residue number reindexed from 1) H151
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:3cxh, PDBe:3cxh, PDBj:3cxh
PDBsum3cxh
PubMed18390544
UniProtP08067|UCRI_YEAST Cytochrome b-c1 complex subunit Rieske, mitochondrial (Gene Name=RIP1)

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