Structure of PDB 3men Chain A Binding Site BS01

Receptor Information

>3men Chain A (length=339) Species: 320372 (Burkholderia pseudomallei 1710b)

SMLTYFHPDQSLHHPRTYFSRGRMRMPQEVPERAARLVAAAFAMGFPVRE
PDDFGIAPIAAVHDTHYLRFLETVHREWKAMPEDWGDEAMSNIFVREPNA
LRGVLAQAARHLADGSCPVGEHTWRAAYWSAQSALAAAAAVRDGAPAAYA
LCRPPGHHARVDAAGGFCYLNNAAIAAQALRARHARVAVLDTDMHHGQGI
QEIFYARRDVLYVSIHGDPTNFYPAVAGFDDERGAGEGLGYNVNLPMPHG
SSEAAFFERVDDALRELRRFAPDALVLSLGFDVYRDDPQSQVAVTTDGFG
RLGHLIGALRLPTVIVQEGGYHIESLEANARSFFGGFGA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3men Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3men SAD phasing using iodide ions in a high-throughput structural genomics environment.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D192 H194 D281
• Binding residue (residue number reindexed from 1): D193 H195 D282
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.-
  3.5.1.62: acetylputrescine deacetylase.

Gene Ontology

Molecular Function

• GO:0004407 histone deacetylase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0047609 acetylputrescine deacetylase activity

Biological Process

• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:3men, PDBe:3men, PDBj:3men
• PDBsum: 3men
• PubMed: 21359836
• UniProt: Q3JUN4|APAHL_BURP1 Acetylpolyamine amidohydrolase (Gene Name=aphA)