4TU5

Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1062)

Summary for 4TU5

• Entry DOI: 10.2210/pdb4tu5/pdb
• Related: 4TU2
• Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (4 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: 19134.43

Authors

Reeve, S.M.,Anderson, A.C. (deposition date: 2014-06-23, release date: 2015-07-08, 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; PubMed: 26098608; DOI: 10.1021/jacs.5b01442

Experimental method

X-RAY DIFFRACTION (2.161 Å)