Structure of PDB 2jiz Chain G Binding Site BS01

Receptor Information
>2jiz Chain G (length=192) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGLII
GVSSDRGLCGAIHSSVAKQMKIIGVGDKIRSILTFKEVGRRPPTFGDASV
IALELSIIFNRFRSVISYKTLRNYQEYSLANIIYYSLKESTTSEQSARMT
AMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAAL
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain2jiz Chain G Residue 1273 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2jiz Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K260 I263 E264
Binding residue
(residue number reindexed from 1)		K180 I183 E184
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)

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2jiz, PDBe:2jiz, PDBj:2jiz
PDBsum2jiz
PubMed17698806
UniProtP05631|ATPG_BOVIN ATP synthase subunit gamma, mitochondrial (Gene Name=ATP5F1C)

[Back to BioLiP]