Structure of PDB 4hda Chain B Binding Site BS03

Receptor Information
>4hda Chain B (length=270) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARPSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQA
QDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQG
RRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICP
ALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAIL
EEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPAT
NRFRFHFQGPCGTTLPEALA
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 chain4hda Chain B Residue 402 [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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PDB4hda A molecular mechanism for direct sirtuin activation by resveratrol.
Resolution2.601 Å
Binding residue
(original residue number in PDB)		G72 T279
Binding residue
(residue number reindexed from 1)		G40 T247
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P68 T69 F70 R71 N141 D143 H158
Catalytic site (residue number reindexed from 1) P36 T37 F38 R39 N109 D111 H126
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0070403 NAD+ binding

View graph for
Molecular Function
External links
PDB RCSB:4hda, PDBe:4hda, PDBj:4hda
PDBsum4hda
PubMed23185430
UniProtQ9NXA8|SIR5_HUMAN NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=SIRT5)

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