4M5I

The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase

Summary for 4M5I

Related1Q0N 1HKA 1KBR 4M5G 4M5H 4M5J 4M5K 4M5L 4M5M 4M5N
Descriptor2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... (6 entities in total)
Functional Keywordsfolate biosynthesis, diphosphotransferases, pterin, atp binding, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceEscherichia coli
Total number of polymer chains1
Total molecular weight19356.25
Authors
Yun, M.,Hoagland, D.,Kumar, G.,Waddell, B.,Rock, C.O.,Lee, R.E.,White, S.W. (deposition date: 2013-08-08, release date: 2014-04-02, Last modification date: 2014-04-16)
Primary citation
Yun, M.K.,Hoagland, D.,Kumar, G.,Waddell, M.B.,Rock, C.O.,Lee, R.E.,White, S.W.
The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22:2157-2165, 2014
PubMed: 24613625 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2014.02.022
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.08 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.161200.7%3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report