3QLS
Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A)
Summary for 3QLS
Entry DOI | 10.2210/pdb3qls/pdb |
Related | 1AI9 1AOE 1IA1 1IA2 1IA3 1IA4 1M78 1M79 1M7A |
Descriptor | Putative uncharacterized protein CaJ7.0360, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, ... (6 entities in total) |
Functional Keywords | antifungal agents, candida albicans, drug design, enzyme inhibitors, fungal proteins, models, molecular structure, structure-activity relationship, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Candida albicans (Yeast) |
Total number of polymer chains | 2 |
Total formula weight | 47019.15 |
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 (1.733 Å) |
Structure validation
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