3K47

Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase

Summary for 3K47

• Entry DOI: 10.2210/pdb3k47/pdb
• Related: 3K45
• Descriptor: Dihydrofolate reductase, 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
• Functional Keywords: mouse dihydrofolate reductase cofactor ligand complex, nadp, one-carbon metabolism, oxidoreductase
• Biological source: Mus musculus (mouse)
• Cellular location: Mitochondrion : P00375
• Total number of polymer chains: 1
• Total formula weight: 22545.59

Authors

Cody, V.,Pace, J.,Queener, S.F.,Gangjee, A. (deposition date: 2009-10-05, release date: 2009-10-13, Last modification date: 2023-09-06)

• Primary citation: Gangjee, A.,Li, W.,Lin, L.,Zeng, Y.,Ihnat, M.,Warnke, L.A.,Green, D.W.,Cody, V.,Pace, J.,Queener, S.F.; Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.; Bioorg.Med.Chem., 17:7324-7336, 2009; PubMed: 19748785; DOI: 10.1016/j.bmc.2009.08.044

Experimental method

X-RAY DIFFRACTION (2.05 Å)