4KAK

Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)

Summary for 4KAK

Entry DOI	10.2210/pdb4kak/pdb
Related	4KBN 4KD7 4KEB 4KFJ
Descriptor	Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (6 entities in total)
Functional Keywords	oxidoreductase, 5, 6, 7, 8-tetrahydrofolate; nadp+; 7, 8-dihydrofolate, hydride shift, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	45327.45
Authors	Lamb, K.M.,Anderson, A.C. (deposition date: 2013-04-22, release date: 2013-10-09, Last modification date: 2023-09-20)
Primary citation	Lamb, K.M.,G-Dayanandan, N.,Wright, D.L.,Anderson, A.C. Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase. Biochemistry, 52:7318-7326, 2013 Cited by PubMed: 24053334 DOI: 10.1021/bi400852h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation