DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine

Summary for 1RRY

Related1RRW 1RRI 1RR5 1RS2 1RS4 1RSD 1RSI
DescriptorDihydroneopterin aldolase, 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER (2 entities in total)
Functional Keywordsdhna, 2-amino-4-hydroxy-5-carboxyethylpyrimidine, lyase
Biological sourceStaphylococcus aureus
Total number of polymer chains1
Total molecular weight13952.8
Primary citation
Sanders, W.J.,Nienaber, V.L.,Lerner, C.G.,McCall, J.O.,Merrick, S.M.,Swanson, S.J.,Harlan, J.E.,Stoll, V.S.,Stamper, G.F.,Betz, S.F.,Condroski, K.R.,Meadows, R.P.,Severin, J.M.,Walter, K.A.,Magdalinos, P.,Jakob, C.G.,Wagner, R.,Beutel, B.A.
Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47:1709-1718, 2004
PubMed: 15027862 (PDB entries with the same primary citation)
DOI: 10.1021/jm030497y
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers1304.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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