Structure of PDB 4bvh Chain C

Receptor sequence

>4bvhC (length=270) Species: 9606 (Homo sapiens)

GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQL
PYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLL
RLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVM
ADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTSLE
VEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESL
VELLGWTEEMRDLVQRETGK

3D structure

• PDB: 4bvh Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
• Chain: C
• Resolution: 1.9 Å

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 N106 D108 H125
• Enzyme Commision number: 2.3.1.286: protein acetyllysine N-acetyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	OCZ	C	I154 F157 F180 Q228 N229 I230 D231 H248	I34 F37 F57 Q105 N106 I107 D108 H125	BindingDB: IC50=>50000nM
BS02	OAD	C	G145 A146 G147 T150 D156 F157 R158 S159 Y165 Q228 H248 F294 G319 T320 S321 V324 N344 R345 D365 V366	G25 A26 G27 T30 D36 F37 R38 S39 Y45 Q105 H125 F171 G196 T197 S198 V201 N221 R222 D242 V243
BS03	ZN	C	C256 C259 C280 C283	C133 C136 C157 C160

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:4bvh, PDBe:4bvh, PDBj:4bvh
• PDBsum: 4bvh
• PubMed: 23840057
• UniProt: Q9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)