Structure of PDB 2jj2 Chain G Binding Site BS01

Receptor Information
>2jj2 Chain G (length=167) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSSD
RGLCGAIHSSVAKQMIGVGDKIRSIKEVGRRPPTFGDIFNRFRSVISYKT
EYSLANIIYYSLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQ
AVITKELIEIISGAAAL
Ligand information
Ligand IDQUE
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
ACDLabs 10.04O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O
FormulaC15 H10 O7
Name3,5,7,3',4'-PENTAHYDROXYFLAVONE;
QUERCETIN
ChEMBLCHEMBL50
DrugBankDB04216
ZINCZINC000003869685
PDB chain2jj2 Chain G Residue 1273 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jj2 Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A256 T259 K260
Binding residue
(residue number reindexed from 1)		A151 T154 K155
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.34: Transferred entry: 7.1.2.2.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006754 ATP biosynthetic 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:0045259 proton-transporting ATP synthase complex
GO:0045261 proton-transporting ATP synthase complex, catalytic core F(1)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jj2, PDBe:2jj2, PDBj:2jj2
PDBsum2jj2
PubMed17698806
UniProtP05631|ATPG_BOVIN ATP synthase subunit gamma, mitochondrial (Gene Name=ATP5F1C)

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