1AXW

E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)

Summary for 1AXW

DescriptorTHYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, ... (4 entities in total)
Functional Keywordsmethyltransferase, transferase, inhibitor
Biological sourceEscherichia coli
Cellular locationCytoplasm P0A884
Total number of polymer chains2
Total molecular weight62612.57
Authors
Stout, T.J.,Sage, C.R.,Stroud, R.M. (deposition date: 1997-10-23, release date: 1998-10-28, Last modification date: 2011-07-13)
Primary citation
Welch, W.,Sage, C.R.,Stout, T.J.,Klein, T.,Ruppert, J.,Stroud, R.M.,Jain, A.
Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published,
Experimental method
X-RAY DIFFRACTION (1.7 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers2 0.6% 2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
170172
PDB entries from 2020-10-21