1S3Y

Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry

Summary for 1S3Y

DescriptorDihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, ... (4 entities in total)
Functional Keywordspneumocystis carinii dihydrofolate reductase, inhibitors, stereochemistry, oxidoreductase
Biological sourcePneumocystis carinii
Total number of polymer chains1
Total molecular weight24969.42
Authors
Cody, V.,Luft, J.R.,Pangborn, W.,Gangjee, A.,Queener, S.F. (deposition date: 2004-01-14, release date: 2004-03-30, Last modification date: 2011-07-13)
Primary citation
Cody, V.,Luft, J.R.,Pangborn, W.,Gangjee, A.,Queener, S.F.
Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60:646-655, 2004
PubMed: 15039552 (PDB entries with the same primary citation)
DOI: 10.1107/S0907444904002094
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.25 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22020 2.9% 2.7% 6.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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169963
PDB entries from 2020-10-14