Structure of PDB 3znr Chain C Binding Site BS01

Receptor Information
>3znr Chain C (length=359) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTGLIYDSVMLKHQCSCGDNSRHPEHAGRIQSIWSRLQERGLRSQCECLR
GRKASLEELQSVHSERHVLLYGTNPLPCGGVGVDTDTIWNELHSSNAARW
AAGSVTDLAFKVASRELKNGFAVVRPPGHHADHSTAMGFCFFNSVAIACR
QLQQQSKASKILIVDWDVHHGNGTQQTFYQDPSVLYISLHRHDDGNFFPG
SGAVDEVGAGSGEGFNVNVAWAGGLDPPMGDPEYLAAFRIVVMPIAREFS
PDLVLVSAGFDAAEGHPAPLGGYHVSAKCFGYMTQQLMNLAGGAVVLALE
GGHDLTAICDASEACVAALLGNRVDPLSEEGWKQKPNLNAIRSLEAVIRV
HSKYWGCMQ
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 chain3znr Chain C Residue 101 [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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PDB3znr Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D707 H709 D801
Binding residue
(residue number reindexed from 1)		D167 H169 D261
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.-
3.5.1.98: histone deacetylase.
External links
PDB RCSB:3znr, PDBe:3znr, PDBj:3znr
PDBsum3znr
PubMed23524983
UniProtQ8WUI4|HDAC7_HUMAN Histone deacetylase 7 (Gene Name=HDAC7)

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