Human dihydrofolate reductase complexed with NADPH and BT1

Summary for 6A7C

DescriptorDihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, ... (5 entities in total)
Functional Keywordsdhfr, antifolate, inhibitor, oxidoreductase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight22807.63
Vanichtanankul, J.,Tarnchompoo, B.,Chitnumsub, P.,Kamchonwongpaisan, S.,Yuthavong, Y. (deposition date: 2018-07-02, release date: 2019-04-10)
Primary citation
Tarnchompoo, B.,Chitnumsub, P.,Jaruwat, A.,Shaw, P.J.,Vanichtanankul, J.,Poen, S.,Rattanajak, R.,Wongsombat, C.,Tonsomboon, A.,Decharuangsilp, S.,Anukunwithaya, T.,Arwon, U.,Kamchonwongpaisan, S.,Yuthavong, Y.
Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9:1235-1240, 2018
PubMed: 30613332 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.8b00389
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24940 0.6% 3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-21