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 Cited by PubMed: 27308944DOI: 10.1021/acs.jmedchem.6b00688 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.723 Å) |
Structure validation
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