3QLR

Candida albicans 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 3QLR

Entry DOI	10.2210/pdb3qlr/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-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-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	46927.06
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: 21726415 DOI: 10.1111/j.1747-0285.2011.01169.x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.149 Å)

Structure validation