Structure of PDB 6iso Chain B Binding Site BS02

Receptor Information

>6iso Chain B (length=264) Species: 9606 (Homo sapiens)

KLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSQYDLPYPEAIFE
LPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNID
GLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMADRVPRCP
VCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTSLEVEPFASLT
EAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESLVELLGWTE
EMRDLVQRETGKLA

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: 6iso Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6iso Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
• Resolution: 2.95 Å
• Binding residue (original residue number in PDB): C256 C259 C280 C283
• Binding residue (residue number reindexed from 1): C125 C128 C149 C152
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): P155 D156 F157 R158 N229 D231 H248
• Catalytic site (residue number reindexed from 1): P34 D35 F36 R37 N98 D100 H117
• 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:6iso, PDBe:6iso, PDBj:6iso
• PDBsum: 6iso
• PubMed: 25369635
• UniProt: Q9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)