Structure of PDB 5ji5 Chain A Binding Site BS01

Receptor Information
>5ji5 Chain A (length=305) Species: 391038 (Paraburkholderia phymatum STM815) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATGFYSHADCLQHEMGQWHPECPARLQAIEDQLIASRIGELIERESAPLA
DEAALLRVHTKAHVDYLRARSPQSGYAEIDPDTSMNPHTWTAALRAAGAA
VAATDAVIEGRYDNAFCSVRPPGHHAEPARAMGFCFFNNVAIAARHALEV
HKLERVAIIDFDVHHGNGTEAAFSNDARVLMCSIFQHPFYPFTGADNQAP
NMCNVPIAARSKGMVVREAIDMIWLPRLDAFKPQMLFVSAGFDAHREDDL
GNMALVEDDYAWITQQIRLVADKYAKGRIVSCLEGGYNLSALGRSVVAHV
RALAD
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 chain5ji5 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ji5 Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D163 H165 D244
Binding residue
(residue number reindexed from 1)		D162 H164 D243
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004407 histone deacetylase activity
GO:0046872 metal ion binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006338 chromatin remodeling

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Molecular Function
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Biological Process
External links
PDB RCSB:5ji5, PDBe:5ji5, PDBj:5ji5
PDBsum5ji5
PubMed
UniProtB2JF16

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