4jsr Summary details

pdbe.org/4jsr/summary_details
spacer Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide]
Summary
Header HYDROLASE/HYDROLASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.7 Å, R-factor: 19.959%, Free R-factor: 22.836%, 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 4jt8, 4jt9
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 N-{2-[1-(6-CARBAMOYLTHIENO[3,2-D]PYRIMIDIN-4-YL)PIPERIDIN-4-YL]ETHYL}-N'-ETHYLTHIOPHENE-2,5-DICARBOXAMIDE 1NQ search
spacer