4XE6

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 4XE6

• Entry DOI: 10.2210/pdb4xe6/pdb
• Related: 4TU5 4XEC
• 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: 19566.94

Authors

Reeve, S.M.,Anderson, A.C. (deposition date: 2014-12-23, release date: 2016-01-20, Last modification date: 2023-09-27)

• Primary citation: Keshipeddy, S.,Reeve, S.M.,Anderson, A.C.,Wright, D.L.; Stereo-selectively Induced Cofactor Switching Provides Insight into Cofactor Site Plasticity as a Possible Mechanism of Antifolate Resistance; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.692 Å)