Structure of PDB 7zw7 Chain A Binding Site BS01

Receptor Information

>7zw7 Chain A (length=408) Species: 6183 (Schistosoma mansoni)

SVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDS
PSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNYDC
PGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGF
CYLNDIVLAIHRLVSSTPRQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFS
VHHASPGFFPGTGTWNMNDKLPIFLNGAGRGRFSAFNLPLEEGINDLDWS
NAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPSLSGYLY
AIKKILSWKVPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTLSPE
IPEHSYFSRYGPDFELDIDYFPHEDSIQKHHRRILEQLRNYADLNKLIYD
YDQVYQLY

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: 7zw7 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zw7 Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): D186 H188 D285
• Binding residue (residue number reindexed from 1): D179 H181 D276
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.98: histone deacetylase.

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

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:7zw7, PDBe:7zw7, PDBj:7zw7
• PDBsum: 7zw7
• UniProt: A0A3Q0KJ63