1SL3
crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor
Summary for 1SL3
Entry DOI | 10.2210/pdb1sl3/pdb |
Descriptor | thrombin, Hirudin, (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, ... (4 entities in total) |
Functional Keywords | thrombin inhibitor complex, blood clotting, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (human) More |
Cellular location | Secreted, extracellular space: P00734 Secreted: P28504 |
Total number of polymer chains | 2 |
Total formula weight | 35066.76 |
Authors | Young, M.B.,Barrow, J.C.,Glass, K.L.,Lundell, G.F.,Newton, C.L.,Pellicore, J.M.,Rittle, K.E.,Selnick, H.G.,Stauffer, K.J.,Vacca, J.P.,Williams, P.D.,Bohn, D.,Clayton, F.C.,Cook, J.J.,Krueger, J.A.,Kuo, L.C.,Lewis, S.D.,Lucas, B.J.,McMasters, D.R.,Miller-Stein, C.,Pietrak, B.L. (deposition date: 2004-03-05, release date: 2004-08-03, Last modification date: 2017-10-11) |
Primary citation | Young, M.B.,Barrow, J.C.,Glass, K.L.,Lundell, G.F.,Newton, C.L.,Pellicore, J.M.,Rittle, K.E.,Selnick, H.G.,Stauffer, K.J.,Vacca, J.P.,Williams, P.D.,Bohn, D.,Clayton, F.C.,Cook, J.J.,Krueger, J.A.,Kuo, L.C.,Lewis, S.D.,Lucas, B.J.,McMasters, D.R.,Miller-Stein, C.,Pietrak, B.L. Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors J.Med.Chem., 47:2995-3008, 2004 Cited by PubMed: 15163182DOI: 10.1021/jm030303e PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.81 Å) |
Structure validation
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