2cf9
From Proteopedia
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==About this Structure== | ==About this Structure== | ||
| - | 2CF9 is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with NA, CA, SIN and 348 as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ | + | 2CF9 is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]] with NA, CA, SIN and 348 as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Thrombin Thrombin]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2CF9 OCA]]. |
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| + | [[Category: Thrombin]] | ||
[[Category: Banner, D.W.]] | [[Category: Banner, D.W.]] | ||
[[Category: Diederich, F.]] | [[Category: Diederich, F.]] | ||
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[[Category: serine protease inhibitor complex]] | [[Category: serine protease inhibitor complex]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 10:36:05 2007'' |
Revision as of 08:31, 30 October 2007
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THROMBIN-METHOXY2
Overview
Two series of tricyclic inhibitors of the serine protease thrombin, imides, (+/-)-1-(+/-)-8 and lactams (+/-)-9-(+/-)-13, were analysed to evaluate, contributions of orthogonal multipolar interactions with the backbone C=O, moiety of Asn98 to the free enthalpy of protein-ligand complexation. The, lactam derivatives are much more potent and more selective inhibitors, (K(i) values between 0.065 and 0.005 microM, selectivity for thrombin over, trypsin between 361- and 1609-fold) than the imide compounds (Ki values, between 0.057 and 23.7 microM, selectivity for thrombin over trypsin, between 3- and 67-fold). The increase in potency and selectivity is, explained by the favorable occupancy of the P-pocket of thrombin by the, additional isopropyl substituent in the lactam derivatives. The ... [(full description)]
About this Structure
2CF9 is a [Protein complex] structure of sequences from [Homo sapiens] with NA, CA, SIN and 348 as [ligands]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors., Schweizer E, Hoffmann-Roder A, Olsen JA, Seiler P, Obst-Sander U, Wagner B, Kansy M, Banner DW, Diederich F, Org Biomol Chem. 2006 Jun 21;4(12):2364-75. Epub 2006 May 10. PMID:16763681
Page seeded by OCA on Tue Oct 30 10:36:05 2007
Categories: Homo sapiens | Protein complex | Thrombin | Banner, D.W. | Diederich, F. | Hoffmann-Roeder, A. | Kansy, M. | Obst-Sander, U. | Olsen, J.A. | Schweizer, E. | Wagner, B. | 348 | CA | NA | SIN | Acute phase | Blood coagulation | Calcium-binding | Complex hydrolase/inhibitor | Glycoprotein | Hydolase | Serine protease | Serine protease inhibitor complex
