Structure of PDB 1szd Chain A Binding Site BS02

Receptor Information

>1szd Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae)

MASMSVSTASTEMSVRKIAAHMKSNPNAKVIFMVGAGISTSCGIPDFRSP
GTGLYHNLARLKLPYPEAVFDVDFFQSDPLPFYTLAKELYPGNFRPSKFH
YLLKLFQDKDVLKRVYTQNIDTLERQAGVKDDLIIEAHGSFAHCHCIGCG
KVYPPQVFKSKLAEHPIKDFVKCDVCGELVKPAIVFFGEDLPDSFSETWL
NDSEWLREKITTQQPLVIVVGTSLAVYPFASLPEEIPRKVKRVLCNLETV
GDFKANKRPTDLIVHQYSDEFAEQLVEELGWQEDFEKILTA

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: 1szd Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1szd Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): C143 C146 C170 C173
• Binding residue (residue number reindexed from 1): C146 C149 C173 C176
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): P42 D43 F44 R45 N116 D118 H135
• Catalytic site (residue number reindexed from 1): P45 D46 F47 R48 N119 D121 H138
• Enzyme Commision number: 2.3.1.286: protein acetyllysine N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0017136 NAD-dependent histone deacetylase activity
• GO:0051287 NAD binding
• GO:0070403 NAD+ binding

External links

• PDB: RCSB:1szd, PDBe:1szd, PDBj:1szd
• PDBsum: 1szd
• PubMed: 15150415
• UniProt: P53686|HST2_YEAST NAD-dependent protein deacetylase HST2 (Gene Name=HST2)