3QLX
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A)
Summary for 3QLX
Entry DOI | 10.2210/pdb3qlx/pdb |
Related | 3CSE 3EEJ 3EEK 3EEL 3EEM |
Descriptor | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-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 | 55058.35 |
Authors | Paulsen, J.L.,Bendel, S.D.,Anderson, A.C. (deposition date: 2011-02-03, release date: 2011-07-20, Last modification date: 2023-09-13) |
Primary citation | Paulsen, J.L.,Bendel, S.D.,Anderson, A.C. Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78:505-512, 2011 Cited by PubMed: 21726415DOI: 10.1111/j.1747-0285.2011.01169.x PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.239 Å) |
Structure validation
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