4jt9 Summary


Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide]

The structure was published by Disch, J.S., Evindar, G., Chiu, C.H., et al., Mao, C., Vlasuk, G.P., and Perni, R.B., in 2013 in a paper entitled "Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.24 Å and deposited in 2013.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of NAD-dependent protein deacetylase sirtuin-3, mitochondrial. This molecule has the UniProt identifier Q9NTG7 (SIR3_HUMAN)search. The sample contained 285 residues which is < 90% of the natural sequence. Out of 285 residues 273 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A NAD-dependent protein deacetylase sirtuin-3, mitochondrial Q9NTG7 (118-399) (SIR3_HUMAN)search Homo sapienssearch < 90% 285 96%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q9NTG7 (118 - 399) NAD-dependent protein deacetylase sirtuin-3, mitochondrial Homo sapiens

Chain Sequence family (Pfam)
A Sir2 familysearch

Chain ID Biological process (GO) Molecular function (GO)
A (Q9NTG7) protein deacetylationsearch NAD bindingsearch NAD+ bindingsearch hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidessearch zinc ion bindingsearch

Chain InterPro annotation
A Sirtuin familysearch Sirtuin, class Isearch Sirtuin family, catalytic core domainsearch Sirtuin family, catalytic core small domainsearch DHS-like NAD/FAD-binding domainsearch