3QLY

Candida glabrata 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 3QLY

• Entry DOI: 10.2210/pdb3qly/pdb
• Related: 3CSE 3EEJ 3EEK 3EEL 3EEM
• Descriptor: Strain CBS138 chromosome J complete sequence, 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, ... (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; PubMed: 21726415; DOI: 10.1111/j.1747-0285.2011.01169.x

Experimental method

X-RAY DIFFRACTION (2.519 Å)