4TXE

ScCTS1 in complex with compound 5

Summary for 4TXE

DescriptorEndochitinase, (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol (3 entities in total)
Functional Keywordschitinase, plant-type, inhibitor, hydrolase
Biological sourceSaccharomyces cerevisiae (Baker's yeast)
Cellular locationSecreted P29029
Total number of polymer chains1
Total molecular weight31841.65
Authors
Schuettelkopf, A.W.,van Aalten, D.M.F. (deposition date: 2014-07-03, release date: 2014-08-06)
Primary citation
Lockhart, D.E.,Schuettelkopf, A.W.,Blair, D.E.,van Aalten, D.M.F.
Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588:3282-, 2014
PubMed: 25063338 (PDB entries with the same primary citation)
DOI: 10.1016/j.febslet.2014.07.015
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.20110.7%2.1%6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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