1TA6

Crystal structure of thrombin in complex with compound 14b

Summary for 1TA6

• Entry DOI: 10.2210/pdb1ta6/pdb
• Related: 1SL3 1TA2
• Descriptor: thrombin, Hirudin, 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, ... (4 entities in total)
• Functional Keywords: thrombin inhibitor complex, blood clotting, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/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: 34935.42

Authors

Tucker, T.J.,Brady, S.F.,Lumma, W.C.,Lewis, S.D.,Gardel, S.J.,Naylor-Olsen, A.M.,Yan, Y.,Sisko, J.T.,Stauffer, K.J.,Lucas, B.Y.,Lynch, J.J.,Cook, J.J.,Stranieri, M.T.,Holahan, M.A.,Lyle, E.A.,Baskin, E.P.,Chen, I.-W.,Dancheck, K.B.,Krueger, J.A.,Cooper, C.M.,Vacca, J.P. (deposition date: 2004-05-19, release date: 2004-06-08, Last modification date: 2017-10-11)

• Primary citation: Tucker, T.J.,Brady, S.F.,Lumma, W.C.,Lewis, S.D.,Gardel, S.J.,Naylor-Olsen, A.M.,Yan, Y.,Sisko, J.T.,Stauffer, K.J.,Lucas, B.Y.,Lynch, J.J.,Cook, J.J.,Stranieri, M.T.,Holahan, M.A.,Lyle, E.A.,Baskin, E.P.,Chen, I.-W.,Dancheck, K.B.,Krueger, J.A.,Cooper, C.M.,Vacca, J.P.; Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position; J.Med.Chem., 41:3210-3219, 1998; PubMed: 9703466; DOI: 10.1021/jm9801713

Experimental method

X-RAY DIFFRACTION (1.9 Å)