Structure of PDB 5bqa Chain A Binding Site BS01

Receptor Information
>5bqa Chain A (length=74) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQLVLAAKYIGAGISTIGLLGAGIGIAIVFAALINGVSRNPSIKDTVFPM
AILGFALSEATGLFCLMVSFLLLF
Ligand information
Ligand IDEF4
InChIInChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m0/s1
InChIKeyCMMLZMMKTYEOKV-RDKHTNMBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1CC[CH]2O[C]3(CC[CH](C)[CH](C[CH](C)O)O3)[CH](C)[CH](OC(=O)C=C[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)CC=CC=C1)[CH]2C
OpenEye OEToolkits 1.9.2CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C
OpenEye OEToolkits 1.9.2CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C
CACTVS 3.385CC[C@@H]/1CC[C@@H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H](C)[C@H](OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C\C=C\C=C/1)[C@@H]2C
ACDLabs 12.01CC(CC3OC2(C(C)C1C(C(CCC(C=CC=CCC(C(C(C(C(C(C(C(C(C(C(C=CC(O1)=O)C)O)C)=O)C)O)C)=O)C)O)C)CC)O2)C)CCC3C)O
FormulaC45 H74 O10
Nameoligomycin C
ChEMBL
DrugBank
ZINCZINC000263620315
PDB chain5bqa Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bqa Oligomycin frames a common drug-binding site in the ATP synthase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F55 A56 E59 L63
Binding residue
(residue number reindexed from 1)		F55 A56 E59 L63
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0015078 proton transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0015986 proton motive force-driven ATP synthesis
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0045263 proton-transporting ATP synthase complex, coupling factor F(o)

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5bqa, PDBe:5bqa, PDBj:5bqa
PDBsum5bqa
PubMed
UniProtP61829|ATP9_YEAST ATP synthase subunit 9, mitochondrial (Gene Name=OLI1)

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