Structure of PDB 4bvb Chain A

Receptor sequence
>4bvbA (length=273) Species: 9606 (Homo sapiens) [Search protein sequence]
KLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQY
DLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGL
LLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRAD
VMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTS
LEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVE
SLVELLGWTEEMRDLVQRETGKL
3D structure
PDB4bvb Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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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 OCZ A I154 F157 F180 L199 Q228 N229 I230 D231 H248 I291 I33 F36 F59 L78 Q107 N108 I109 D110 H127 I170 PDBbind-CN: -logKd/Ki=4.48,Ki=33.4uM
BindingDB: IC50=>50000nM
BS02 AR6 A G145 A146 G147 T150 D156 F157 R158 Q228 H248 F294 G319 T320 S321 N344 R345 D365 V366 G24 A25 G26 T29 D35 F36 R37 Q107 H127 F173 G198 T199 S200 N223 R224 D244 V245
BS03 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

View graph for
Molecular Function
External links
PDB RCSB:4bvb, PDBe:4bvb, PDBj:4bvb
PDBsum4bvb
PubMed23840057
UniProtQ9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)

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