6PR8
S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-dihydropthalazine inhibitor and NADP(H)
Summary for 6PR8
Entry DOI | 10.2210/pdb6pr8/pdb |
Descriptor | Dihydrofolate reductase, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | dihydrofolate reductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Staphylococcus aureus |
Total number of polymer chains | 1 |
Total formula weight | 20087.56 |
Authors | Bourne, C.R.,Thomas, L.M. (deposition date: 2019-07-10, release date: 2020-06-17, Last modification date: 2023-10-11) |
Primary citation | Muddala, N.P.,White, J.C.,Nammalwar, B.,Pratt, I.,Thomas, L.M.,Bunce, R.A.,Berlin, K.D.,Bourne, C.R. Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200:112412-112412, 2020 Cited by PubMed: 32502861DOI: 10.1016/j.ejmech.2020.112412 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.01 Å) |
Structure validation
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