4OSG

Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)

Summary for 4OSG

Entry DOI	10.2210/pdb4osg/pdb
Related	4OR7
Descriptor	Dihydrofolate reductase, NADP 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, ... (9 entities in total)
Functional Keywords	oxidoreductase, hydride shift, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Klebsiella pneumoniae CG43
Total number of polymer chains	4
Total formula weight	80368.17
Authors	Lamb, K.M.,Anderson, A.C. (deposition date: 2014-02-12, 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 Cited by PubMed: 25288083 DOI: 10.1128/AAC.03555-14 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation