6HSX

Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative

Summary for 6HSX

• Entry DOI: 10.2210/pdb6hsx/pdb
• Descriptor: Prothrombin, Hirudin variant-2, DIMETHYL SULFOXIDE, ... (10 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: 36453.35

Authors

Ngo, K.,Heine, A.,Klebe, G. (deposition date: 2018-10-02, release date: 2019-10-23, Last modification date: 2024-01-24)

• Primary citation: Ngo, K.,Collins-Kautz, C.,Gerstenecker, S.,Wagner, B.,Heine, A.,Klebe, G.; Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?; J.Med.Chem., 63:3274-3289, 2020; PubMed: 32011145; DOI: 10.1021/acs.jmedchem.9b02061

Experimental method

X-RAY DIFFRACTION (1.56 Å)