Structure of PDB 4zun Chain B Binding Site BS02

Receptor Information

>4zun Chain B (length=341) Species: 40837 (Mycoplana ramosa)

MRVIFSEDHKLRNAKTELYGGELVPPFEAPFRAEWILAAVKEAGFDDVVA
PARHGLETVLKVHDAGYLNFLETAWDRWKAAGYKGEAIATSFPVRRTSPR
IPTDIEGQIGYYCNAAETAISPGTWEAALSSMASAIDGADLIAAGHKAAF
SLCRPPGHHAGIDMFGGYCFINNAAVAAQRLLDKGAKKIAILDVDFHHGN
GTQDIFYERGDVFFASLHGDPAEAFPHFLGYAEETGKGAGAGTTANYPMG
RGTPYSVWGEALTDSLKRIAAFGAEAIVVSLGVDTFEQDPISFFKLTSPD
YITMGRTIAASGVPLLVVMEGGYGVPEIGLNVANVLKGVAG

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: 4zun Chain B Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zun Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): H158 H159
• Binding residue (residue number reindexed from 1): H158 H159
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.-
  3.5.1.48: acetylspermidine deacetylase.
  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
• GO:0047611 acetylspermidine deacetylase activity

Biological Process

• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:4zun, PDBe:4zun, PDBj:4zun
• PDBsum: 4zun
• PubMed: 26200446
• UniProt: Q48935|APAH_MYCRA Acetylpolyamine amidohydrolase (Gene Name=aphA)