5JFD
Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide
Summary for 5JFD
Entry DOI | 10.2210/pdb5jfd/pdb |
Related | 3EQ0 |
Related PRD ID | PRD_000667 |
Descriptor | Prothrombin, Hirudin variant-2, (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, ... (9 entities in total) |
Functional Keywords | coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, preorganization, glycosylation, blood, hydrolase |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 3 |
Total formula weight | 36532.97 |
Authors | Sandner, A.,Heine, A.,Klebe, G. (deposition date: 2016-04-19, release date: 2017-05-24, Last modification date: 2024-01-10) |
Primary citation | Sandner, A.,Hufner-Wulsdorf, T.,Heine, A.,Steinmetzer, T.,Klebe, G. Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62:9753-9771, 2019 Cited by PubMed: 31633354DOI: 10.1021/acs.jmedchem.9b01196 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.46 Å) |
Structure validation
Download full validation report