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; PubMed: 15163182; DOI: 10.1021/jm030303e

Experimental method

X-RAY DIFFRACTION (1.81 Å)