6EO8

Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor

Replaces:  4N3L

Summary for 6EO8

• Entry DOI: 10.2210/pdb6eo8/pdb
• Descriptor: Prothrombin, Hirudin variant-2, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: hydrolase-hydrolase inhibitor complex, blood clotting
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 36576.31

Authors

Belviso, B.D.,Caliandro, R.,Aresta, B.M.,De Candia, M.,Altomare, C.D. (deposition date: 2017-10-09, release date: 2017-12-13, Last modification date: 2019-10-16)

• Primary citation: Belviso, B.D.,Caliandro, R.,de Candia, M.,Zaetta, G.,Lopopolo, G.,Incampo, F.,Colucci, M.,Altomare, C.D.; How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.; J. Med. Chem., 57:8563-8575, 2014; PubMed: 25268757; DOI: 10.1021/jm5010754

Experimental method

X-RAY DIFFRACTION (1.94 Å)