3RO9
Candida glabrata 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 (UCP1006)
Summary for 3RO9
Entry DOI | 10.2210/pdb3ro9/pdb |
Related | 3CSE 3EEJ 3EEK 3EEL 3EEM 3QLX 3QLY 3QLZ 3ROA |
Descriptor | Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (4 entities in total) |
Functional Keywords | antifungal agents, candida glabrata, drug design, enzyme inhibitors, fungal proteins, models, molecular structure, structure-activity relationship, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Candida glabrata (yeast) |
Total number of polymer chains | 2 |
Total formula weight | 54655.87 |
Authors | Paulsen, J.L.,Anderson, A.C. (deposition date: 2011-04-25, release date: 2012-05-09, Last modification date: 2024-02-28) |
Primary citation | Paulsen, J.L.,Viswanathan, K.,Wright, D.L.,Anderson, A.C. Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23:1279-1284, 2013 Cited by PubMed: 23375226DOI: 10.1016/j.bmcl.2013.01.008 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.596 Å) |
Structure validation
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