1MU6

Crystal Structure of Thrombin in Complex with L-378,622

Summary for 1MU6

• Entry DOI: 10.2210/pdb1mu6/pdb
• Related: 1MU8 1MUE
• Descriptor: THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, ... (5 entities in total)
• Functional Keywords: hydrolase, blood clotting, hydrolase-blood clotting complex, hydrolase-hydrolase inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P28506
• Total number of polymer chains: 3
• Total formula weight: 35800.68

Authors

Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Sanderson, P.E.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Williams, P.D.,Coburn, C.A.,Dorsey, B.D.,Barrow, J.C.,Stranieri, M.T.,Holahan, M.A.,Sitko, G.R.,Cook, J.J.,McMasters, D.R.,McDonough, C.M.,Sanders, W.M.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Leonard, Y.M.,Detwiler Jr., T.J.,Lynch Jr., J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P.J. (deposition date: 2002-09-23, release date: 2004-04-06, Last modification date: 2021-07-21)

• Primary citation: Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Sanderson, P.E.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Williams, P.D.,Coburn, C.A.,Dorsey, B.D.,Barrow, J.C.,Stranieri, M.T.,Holahan, M.A.,Sitko, G.R.,Cook, J.J.,McMasters, D.R.,McDonough, C.M.,Sanders, W.M.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Leonard, Y.M.,Detwiler Jr., T.J.,Lynch Jr., J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P.J.; Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.; J.Med.Chem., 46:461-473, 2003; PubMed: 12570369; DOI: 10.1021/jm020311f

Experimental method

X-RAY DIFFRACTION (1.99 Å)