5LWT

Endothiapepsin in complex with a methoxylated derivative of fragment 177

Summary for 5LWT

• Entry DOI: 10.2210/pdb5lwt/pdb
• Descriptor: Endothiapepsin, ACETATE ION, GLYCEROL, ... (7 entities in total)
• Functional Keywords: fragment screening, aspartic protease, inhibition, reactivity, hydrolase
• Biological source: Cryphonectria parasitica (Chestnut blight fungus)
• Total number of polymer chains: 1
• Total formula weight: 34925.15

Authors

Schiebel, J.,Heine, A.,Klebe, G. (deposition date: 2016-09-19, release date: 2017-08-09, Last modification date: 2024-01-17)

• Primary citation: Cramer, J.,Schiebel, J.,Wulsdorf, T.,Grohe, K.,Najbauer, E.E.,Ehrmann, F.R.,Radeva, N.,Zitzer, N.,Linne, U.,Linser, R.,Heine, A.,Klebe, G.; A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.; Angew. Chem. Int. Ed. Engl., 56:1908-1913, 2017; PubMed: 28097765; DOI: 10.1002/anie.201609824

Experimental method

X-RAY DIFFRACTION (1.069 Å)