3C1K

Crystal structure of thrombin in complex with inhibitor 15

Summary for 3C1K

• Entry DOI: 10.2210/pdb3c1k/pdb
• Descriptor: Prothrombin, Hirugen, 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, ... (4 entities in total)
• Functional Keywords: thrombin, thrombin inhibitor complex, acute phase, blood coagulation, cleavage on pair of basic residues, disease mutation, gamma-carboxyglutamic acid, glycoprotein, hydrolase, kringle, protease, secreted, serine protease, zymogen, protease inhibitor, serine protease inhibitor, sulfation, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734; Secreted: P28511
• Total number of polymer chains: 2
• Total formula weight: 35114.14

Authors

Yan, Y. (deposition date: 2008-01-23, release date: 2008-03-18, Last modification date: 2013-03-13)

• Primary citation: Isaacs, R.C.,Solinsky, M.G.,Cutrona, K.J.,Newton, C.L.,Naylor-Olsen, A.M.,McMasters, D.R.,Krueger, J.A.,Lewis, S.D.,Lucas, B.J.,Kuo, L.C.,Yan, Y.,Lynch, J.J.,Lyle, E.A.; Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.; Bioorg.Med.Chem.Lett., 18:2062-2066, 2008; PubMed: 18291642; DOI: 10.1016/j.bmcl.2008.01.098

Experimental method

X-RAY DIFFRACTION (1.84 Å)