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 Cited by PubMed: 26005532DOI: 10.1021/acsmedchemlett.5b00047 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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