4YES

Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium

Summary for 4YES

• Entry DOI: 10.2210/pdb4yes/pdb
• Related PRD ID: PRD_002146
• Descriptor: Thrombin light chain, Thrombin heavy chain, Hirudin, ... (8 entities in total)
• Functional Keywords: sulfo-hirudin, inhibitor, complex, thrombin, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P01050
• Total number of polymer chains: 3
• Total formula weight: 36163.84

Authors

Orth, P. (deposition date: 2015-02-24, release date: 2015-06-17, Last modification date: 2023-11-15)

• Primary citation: Chobanian, H.R.,Pio, B.,Guo, Y.,Shen, H.,Huffman, M.A.,Madeira, M.,Salituro, G.,Terebetski, J.L.,Ormes, J.,Jochnowitz, N.,Hoos, L.,Zhou, Y.,Lewis, D.,Hawes, B.,Mitnaul, L.,O'Neill, K.,Ellsworth, K.,Wang, L.,Biftu, T.,Duffy, J.L.; Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.; Acs Med.Chem.Lett., 6:553-557, 2015; PubMed: 26005532; DOI: 10.1021/acsmedchemlett.5b00047

Experimental method

X-RAY DIFFRACTION (1.5 Å)