Structure of PDB 4bv3 Chain A

Receptor sequence

>4bv3A (length=270) Species: 9606 (Homo sapiens)

KLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQY
DLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGL
LLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRAD
VMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTS
LEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVE
SLVELLGWTEEMRDLVQRET

3D structure

• PDB: 4bv3 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
• Chain: A
• Resolution: 2.0 Å

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 N108 D110 H127
• 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	NAD	A	G145 A146 G147 T150 D156 F157 R158 Y165 H248 V292 F294 G319 T320 S321 V324 N344 R345 D365 V366	G24 A25 G26 T29 D35 F36 R37 Y44 H127 V171 F173 G198 T199 S200 V203 N223 R224 D244 V245
BS02	APR	A	G145 A146 G147 T150 D156 F157 R158 H248 F294 T320 S321 V324 N344 R345 D365 V366	G24 A25 G26 T29 D35 F36 R37 H127 F173 T199 S200 V203 N223 R224 D244 V245
BS03	OCZ	A	F157 F180 Q228 N229 I230 D231 I291 V292	F36 F59 Q107 N108 I109 D110 I170 V171	MOAD: Kd=16.5uM BindingDB: IC50=>50000nM
BS04	ZN	A	C256 C259 C280 C283	C135 C138 C159 C162

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:4bv3, PDBe:4bv3, PDBj:4bv3
• PDBsum: 4bv3
• PubMed: 23840057
• UniProt: Q9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)