5R28
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free
Summary for 5R28
Entry DOI | 10.2210/pdb5r28/pdb |
Group deposition | PanDDA analysis of F2X-Entry Screen vs. Endothiapepsin, DMSO-free soaking (G_1002120) |
Descriptor | Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (3 entities in total) |
Functional Keywords | hydrolase |
Biological source | Cryphonectria parasitica (Chestnut blight fungus) |
Total number of polymer chains | 1 |
Total formula weight | 43507.96 |
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: 32413289DOI: 10.1016/j.str.2020.04.019 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.019 Å) |
Structure validation
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