4XEC
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1061)
Summary for 4XEC
Entry DOI | 10.2210/pdb4xec/pdb |
Descriptor | Dihydrofolate reductase, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ACETATE ION, ... (5 entities in total) |
Functional Keywords | dihydrofolate reductase, oxidoreductase, methicillin-resistant staphylococcus aureus, antifolates, enantiopure inhibitors, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Staphylococcus aureus |
Total number of polymer chains | 1 |
Total formula weight | 19193.47 |
Authors | Reeve, S.M.,Anderson, A.C. (deposition date: 2014-12-23, release date: 2015-07-22, Last modification date: 2023-09-27) |
Primary citation | Keshipeddy, S.,Reeve, S.M.,Anderson, A.C.,Wright, D.L. Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus. J.Am.Chem.Soc., 137:8983-8990, 2015 Cited by PubMed: 26098608DOI: 10.1021/jacs.5b01442 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.692 Å) |
Structure validation
Download full validation report