5RPJ

PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a

Summary for 5RPJ

Entry DOI	10.2210/pdb5rpj/pdb
Group deposition	PanDDA analysis of Frag Xtal Screen vs. PrtK (G_1002169)
Descriptor	Proteinase K, SULFATE ION, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ... (4 entities in total)
Functional Keywords	fragmax, fragmaxapp, fragment screening, hydrolase, inhibition
Biological source	Parengyodontium album
Total number of polymer chains	1
Total formula weight	29343.22
Authors	Lima, G.M.A.,Talibov, V.,Benz, L.S.,Jagudin, E.,Mueller, U. (deposition date: 2020-09-23, release date: 2021-05-26, Last modification date: 2021-06-23)
Primary citation	Lima, G.M.A.,Jagudin, E.,Talibov, V.O.,Benz, L.S.,Marullo, C.,Barthel, T.,Wollenhaupt, J.,Weiss, M.S.,Mueller, U. FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77:799-808, 2021 Cited by PubMed: 34076593 DOI: 10.1107/S2059798321003818 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.27 Å)

Structure validation