5R1W

PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free

Summary for 5R1W

Entry DOI	10.2210/pdb5r1w/pdb
Group deposition	PanDDA analysis of F2X-Entry Screen vs. Endothiapepsin, DMSO-free soaking (G_1002120)
Descriptor	Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine (3 entities in total)
Functional Keywords	hydrolase
Biological source	Cryphonectria parasitica (Chestnut blight fungus)
Total number of polymer chains	1
Total formula weight	43505.94
Authors	Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. (deposition date: 2020-02-13, release date: 2020-06-03, Last modification date: 2020-07-08)
Primary citation	Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G.,Weiss, M.S. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28:694-706.e5, 2020 Cited by PubMed: 32413289 DOI: 10.1016/j.str.2020.04.019 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.077 Å)

Structure validation