Structure of PDB 4bvh Chain B

Receptor sequence
>4bvhB (length=271) Species: 9606 (Homo sapiens) [Search protein sequence]
GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQ
YDLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKG
LLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRA
DVMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGT
SLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGV
ESLVELLGWTEEMRDLVQRET
3D structure
PDB4bvh Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
ChainB
Resolution1.9 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) P35 D36 F37 R38 N109 D111 H128
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 B F157 F180 L199 Q228 N229 I230 D231 H248 F37 F60 L79 Q108 N109 I110 D111 H128 BindingDB: IC50=>50000nM
BS02 AR6 B G145 A146 G147 T150 D156 F157 R158 Q228 H248 F294 G319 T320 S321 N344 R345 D365 V366 G25 A26 G27 T30 D36 F37 R38 Q108 H128 F174 G199 T200 S201 N224 R225 D245 V246
BS03 ZN B C256 C259 C280 C136 C139 C160
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:4bvh, PDBe:4bvh, PDBj:4bvh
PDBsum4bvh
PubMed23840057
UniProtQ9NTG7|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)

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