Structure of PDB 2h2g Chain A Binding Site BS02

Receptor Information

>2h2g Chain A (length=236) Species: 2336 (Thermotoga maritima)

MKMKEFLDLLNESRLTVTLTGAGISTPSGIPDFYSQNVFDIDFFYSHPEE
FYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGS
KKVIELHGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNI
VFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAELPLITVRSGGK
LVIVNLGETPFDDIATLKYNMDVVEFARRVMEEGGI

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: 2h2g Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2h2g The structural basis of sirtuin substrate affinity
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): C124 C127 C148
• Binding residue (residue number reindexed from 1): C115 C118 C139
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): P31 D32 F33 N99 D101 H116
• Catalytic site (residue number reindexed from 1): P31 D32 F33 N90 D92 H107
• Enzyme Commision number: 2.3.1.286: protein acetyllysine N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016740 transferase activity
• GO:0017136 NAD-dependent histone deacetylase activity
• GO:0034979 NAD-dependent protein lysine deacetylase activity
• GO:0046872 metal ion binding
• GO:0051287 NAD binding
• GO:0070403 NAD+ binding

Biological Process

• GO:0006338 chromatin remodeling
• GO:0006476 protein deacetylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2h2g, PDBe:2h2g, PDBj:2h2g
• PDBsum: 2h2g
• PubMed: 16768447
• UniProt: Q9WYW0|NPD_THEMA NAD-dependent protein deacetylase (Gene Name=cobB)