4OR7

Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine

Summary for 4OR7

• Entry DOI: 10.2210/pdb4or7/pdb
• Related: 4OSG
• Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, ... (4 entities in total)
• Functional Keywords: 5, 6, 7, 8-tetrahydrofolate; 7, 8-dihydrofolate, hydride shift, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Klebsiella pneumoniae CG43
• Total number of polymer chains: 1
• Total formula weight: 19886.94

Authors

Lamb, K.M.,Anderson, A.C. (deposition date: 2014-02-11, release date: 2014-12-03, Last modification date: 2024-02-28)

• Primary citation: Lamb, K.M.,Lombardo, M.N.,Alverson, J.,Priestley, N.D.,Wright, D.L.,Anderson, A.C.; Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.; Antimicrob.Agents Chemother., 58:7484-7491, 2014; PubMed: 25288083; DOI: 10.1128/AAC.03555-14

Experimental method

X-RAY DIFFRACTION (1.76 Å)