Endothiapepsin in complex with fragment 216

Summary for 4YCT

Related3PGI 4Y35 4Y36 4Y37 4Y39 4Y3A 4Y3D 4Y3F 4Y3G 4Y3H 4Y3L 4Y3M 4Y3N 4Y3P 4Y3Q 4Y3R 4Y3S 4Y3T 4Y3W 4Y3X 4Y3Z 4Y41 4Y43 4Y44 4Y45 4Y47 4Y4A 4Y4B 4Y4C 4Y4E 4Y4T 4Y4U 4Y4W 4Y4X 4Y4Z 4Y50 4Y51 4Y53 4Y54 4Y56 4Y57 4Y58 4Y5A 4Y5B 4Y5C 4Y5E 4Y5G 4Y5K 4Y5L 4Y5M 4Y5N 4Y5P 4YCK 4YCY 4YD3 4YD4 4YD5 4YD6 4YD7 4Y48 4Y4J 4Y4G 4Y4D 4Y38 4Y3Y 4Y3J
DescriptorEndothiapepsin, 4-(trifluoromethyl)benzenecarboximidamide, GLYCEROL, ... (7 entities in total)
Functional Keywordsfragment screening, hydrolase, inhibition
Biological sourceCryphonectria parasitica (Chesnut blight fungus)
Total number of polymer chains1
Total molecular weight34413.43
Stieler, M.,Heine, A.,Klebe, G. (deposition date: 2015-02-20, release date: 2016-03-02)
Primary citation
Stieler, M.,Heine, A.,Klebe, G.
Crystallographic Fragment Screening of an Entire Library
To Be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.157000.8%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload