Structure of PDB 2l98 Chain A Binding Site BS03

Receptor Information
>2l98 Chain A (length=72) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGKSEEELSDLFRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKD
GDKNNDGRIDYDEFLEFMKGVE
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 chain2l98 Chain A Residue 162 [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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PDB2l98 Structure of trans-Resveratrol in Complex with the Cardiac Regulatory Protein Troponin C.
ResolutionN/A
Binding residue
(original residue number in PDB)		L117 L121 F153 F156
Binding residue
(residue number reindexed from 1)		L28 L32 F64 F67
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=3.61,Kd=243uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:2l98, PDBe:2l98, PDBj:2l98
PDBsum2l98
PubMed21226534
UniProtP63316|TNNC1_HUMAN Troponin C, slow skeletal and cardiac muscles (Gene Name=TNNC1)

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