1C3E

NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.

Summary for 1C3E

Related1c2t
DescriptorGLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, ... (4 entities in total)
Functional Keywordspurine biosynthesis, anti-cancer agent, inhibitor complex, transferase
Biological sourceEscherichia coli
Total number of polymer chains2
Total molecular weight47435.15
Authors
Greasley, S.E.,Yamashita, M.M.,Cai, H.,Benkovic, S.J.,Boger, D.L.,Wilson, I.A. (deposition date: 1999-07-27, release date: 1999-12-29, Last modification date: 2018-01-31)
Primary citation
Greasley, S.E.,Yamashita, M.M.,Cai, H.,Benkovic, S.J.,Boger, D.L.,Wilson, I.A.
New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38:16783-16793, 1999
PubMed: 10606510 (PDB entries with the same primary citation)
DOI: 10.1021/bi991888a
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers190.7%3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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