5LCE
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide
Summary for 5LCE
Entry DOI | 10.2210/pdb5lce/pdb |
Descriptor | Prothrombin, GLYCEROL, Hirudin variant-2, ... (11 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 | 36625.94 |
Authors | Sandner, A.,Heine, A.,Klebe, G. (deposition date: 2016-06-21, release date: 2017-07-26, 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 (1.39 Å) |
Structure validation
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