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: 26098608 DOI: 10.1021/jacs.5b01442 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.692 Å)

Structure validation