5RBS

PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C08a

Summary for 5RBS

Entry DOI	10.2210/pdb5rbs/pdb
Group deposition	PanDDA analysis of F2X-Entry vs. Endothiapepsin (G_1002147)
Descriptor	Endothiapepsin, (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one, GLYCEROL, ... (8 entities in total)
Functional Keywords	fragmax, fragmaxapp, fragment screening, hydrolase, inhibition, f2x-entry
Biological source	Cryphonectria parasitica (Chestnut blight fungus)
Total number of polymer chains	1
Total formula weight	44150.65
Authors	Weiss, M.S.,Wollenhaupt, J.,Metz, A.,Barthel, T.,Lima, G.M.A.,Heine, A.,Mueller, U.,Klebe, G. (deposition date: 2020-03-24, release date: 2020-06-03, Last modification date: 2024-04-24)
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 Å)

Structure validation