Structure of PDB 2vcg Chain D Binding Site BS02

Receptor Information

>2vcg Chain D (length=375) Species: 512 (Alcaligenes sp.)

MHHHHHHAIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKR
RFHELVCASGQIEHLTPIAAVAATDADILRAHSAAHLENMKRVSNLPTGG
DTGDGITMMGNGGLEIARLSAGGAVELTRRVATGELSAGYALVNPPGHHA
PHNAAMGFCIFNNTSVAAGYARAVLGMERVAILDWDVHHGNGTQDIWWND
PSVLTISLHQHLCFPPDSGYSTERGAGNGHGYNINVPLPPGSGNAAYLHA
MDQVVLPALRAYRPQLIIVGSGFDASMLDPLARMMVTADGFRQMARRTID
CAADICDGRIVFVQEGGYSPHYLPFCGLAVIEELTGVRSLPDPYHEFLAG
MGGNTLLDAERAAIEEIVPLLADIR

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: 2vcg Chain D Residue 1377

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vcg Phenylalanine-Containing Hydroxamic Acids as Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs).
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D186 H188 D274
• Binding residue (residue number reindexed from 1): D186 H188 D274
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.-

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000122 negative regulation of transcription by RNA polymerase II
• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:2vcg, PDBe:2vcg, PDBj:2vcg
• PDBsum: 2vcg
• PubMed: 18054239
• UniProt: Q70I53|HDAH_ALCSD Histone deacetylase-like amidohydrolase (Gene Name=hdaH)