Structure of PDB 2jj1 Chain G Binding Site BS01

Receptor Information
>2jj1 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 IDPIT
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKeyCDRPUGZCRXZLFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CACTVS 3.341Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
ACDLabs 10.04Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
FormulaC14 H12 O4
NamePICEATANNOL;
4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
ChEMBLCHEMBL69863
DrugBankDB08399
ZINCZINC000000014036
PDB chain2jj1 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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PDB2jj1 Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A256 T259 K260 I263 E264
Binding residue
(residue number reindexed from 1)		A151 T154 K155 I158 E159
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:2jj1, PDBe:2jj1, PDBj:2jj1
PDBsum2jj1
PubMed17698806
UniProtP05631|ATPG_BOVIN ATP synthase subunit gamma, mitochondrial (Gene Name=ATP5F1C)

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