5IST

Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)

Summary for 5IST

• Entry DOI: 10.2210/pdb5ist/pdb
• Related: 5HF0 5HF2 5ISP 5ISQ
• Descriptor: Dihydrofolate reductase, 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Tricyclic NADPH, ... (5 entities in total)
• Functional Keywords: oxidoreductase, dihydrofolate reductase, nadph, zwitterion, antibiotics
• Biological source: Staphylococcus aureus
• Total number of polymer chains: 1
• Total formula weight: 20263.20

Authors

Anderson, A.C.,Reeve, S.M. (deposition date: 2016-03-15, release date: 2017-06-28, Last modification date: 2023-09-27)

• Primary citation: Reeve, S.M.,Scocchera, E.,Ferreira, J.J.,G-Dayanandan, N.,Keshipeddy, S.,Wright, D.L.,Anderson, A.C.; Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.; J. Med. Chem., 59:6493-6500, 2016; PubMed: 27308944; DOI: 10.1021/acs.jmedchem.6b00688

Experimental method

X-RAY DIFFRACTION (1.723 Å)