3ROA

Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)

Summary for 3ROA

• Entry DOI: 10.2210/pdb3roa/pdb
• Related: 3CSE 3EEJ 3EEK 3EEL 3EEM 3QLX 3QLY 3QLZ 3RO9
• Descriptor: Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (5 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: 54742.81

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; PubMed: 23375226; DOI: 10.1016/j.bmcl.2013.01.008

Experimental method

X-RAY DIFFRACTION (2.301 Å)