Structure of PDB 3glr Chain A Binding Site BS03

Receptor Information

>3glr Chain A (length=274) Species: 9606 (Homo sapiens)

GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQ
YDLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKG
LLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRA
DVMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGT
SLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGV
ESLVELLGWTEEMRDLVQRETGKL

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 3glr Chain A Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3glr Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R135 Q138
• Binding residue (residue number reindexed from 1): R15 Q18
• 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): P35 D36 F37 R38 N109 D111 H128
• 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:3glr, PDBe:3glr, PDBj:3glr
• PDBsum: 3glr
• PubMed: 19535340
• UniProt: Q9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)