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

Summary for 4KBN

Related4KAK 4KD7 4KEB 4KFJ
DescriptorDihydrofolate reductase, 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, ETHANOL, ... (9 entities in total)
Functional Keywords5, 6, 7, oxidoreductase, 8-tetrahydrofolate, nadp+, hydride shift, cytosol, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains2
Total molecular weight45596.9
Lamb, K.M.,Anderson, A.C. (deposition date: 2013-04-23, release date: 2013-10-09, Last modification date: 2013-11-20)
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
PubMed: 24053334 (PDB entries with the same primary citation)
DOI: 10.1021/bi400852h
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.27760 2.1% 3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21