5RD1
PanDDA analysis group deposition -- Endothiapepsin ground state model 23
Summary for 5RD1
Entry DOI | 10.2210/pdb5rd1/pdb |
Group deposition | PanDDA analysis of F2X-Entry vs. Endothiapepsin (G_1002147) |
Descriptor | Endothiapepsin, GLYCEROL, ACETATE ION, ... (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 | 44146.54 |
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: 2020-06-17) |
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 Å) |
Structure validation
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