Structure of PDB 2vqm Chain A Binding Site BS02

Receptor Information
>2vqm Chain A (length=391) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRFTTGLVYDTLMLKHQCTCGHAGRIQSIWSRLQETGLRGKCECIRGRKA
TLEELQTVHSEAHTLLYGTNPLNRQKKLLGSLASVFVRLPCGGVGVDSDT
IWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPM
GFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYM
SLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAA
FRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQL
MGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPN
ANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCENE
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 chain2vqm 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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PDB2vqm Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D196 H198 D290
Binding residue
(residue number reindexed from 1)		D180 H182 D274
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.98: histone deacetylase.
External links
PDB RCSB:2vqm, PDBe:2vqm, PDBj:2vqm
PDBsum2vqm
PubMed18614528
UniProtP56524|HDAC4_HUMAN Histone deacetylase 4 (Gene Name=HDAC4)

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