4jt9 Summary details

pdbe.org/4jt9/summary_details
spacer 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]
Summary
Header HYDROLASE/HYDROLASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.24 Å, R-factor: 19.984%, Free R-factor: 24.693%, Spacegroup: P 65
Released 24/04/2013, deposition: 22/03/2013, last revision: 03/07/2013
Authors Dai, H.search
Primary citation Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.MED.CHEM.search vol:56, pag:3666-3679 (2013) [PubMed 23570514 ]search
Keywords Deacetylasesearch, HYDROLASE-HYDROLASE INHIBITOR complexsearch
EC 3.5.1.- ExPASy BRENDA search (A)
Organism Homo sapiens(human) 9606search(A)
UniProt Q9NTG7search (A)
Solvent A
Related entries 4jsr, 4jt8
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A NAD-dependent protein deacetylase sirtuin-3, mitochondrial Protein Q9NTG7 (SIR3_HUMAN)search
285 96%
Heterogens
Chain Id Name Ligands
A ZINC ION ZN search
A 4-(4-{2-[(METHYLSULFONYL)AMINO]ETHYL}PIPERIDIN-1-YL)THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE 1NS search
A GLYCEROL GOL search
A SODIUM ION NA search
spacer