Structure of PDB 2vqq Chain A Binding Site BS02

Receptor Information
>2vqq Chain A (length=361) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFTTGLVYDTLMLKHQHAGRIQSIWSRLQETGLRGKCEAIRGRKATLEEL
QTVHSEAHTLLYGTNPLVDSDTIWNEVHSAGAARLAVGCVVELVFKVATG
ELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVD
WDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGF
NVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEG
HPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEAC
VSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTA
GRSLIEAQTCE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2vqq Chain A Residue 1411 [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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PDB2vqq Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D196 H198 D290
Binding residue
(residue number reindexed from 1)		D152 H154 D246
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.98: histone deacetylase.
External links
PDB RCSB:2vqq, PDBe:2vqq, PDBj:2vqq
PDBsum2vqq
PubMed18614528
UniProtP56524|HDAC4_HUMAN Histone deacetylase 4 (Gene Name=HDAC4)

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