1f0s
From Proteopedia
(New page: 200px<br /> <applet load="1f0s" size="450" color="white" frame="true" align="right" spinBox="true" caption="1f0s, resolution 2.10Å" /> '''CRYSTAL STRUCTURE O...) |
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caption="1f0s, resolution 2.10Å" /> | caption="1f0s, resolution 2.10Å" /> | ||
'''CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208707'''<br /> | '''CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208707'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1F0S 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 CA and PR2 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] Full crystallographic information is available from [http:// | + | 1F0S 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 <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=PR2:'>PR2</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1F0S OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
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Revision as of 13:45, 15 February 2008
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208707
Contents |
Overview
Involved in the coagulation cascade, factor Xa (FXa) is a serine protease, which has received great interest as a potential target for the, development of new antithrombotics. Although there is a great wealth of, structural data on thrombin complexes, few structures of ligand/FXa, complexes have been reported, presumably because of the difficulty in, growing crystals. Reproducible crystallization conditions for human, des-Gla1-45 coagulation FXa have been found. This has led to an, improvement in the diffraction quality of the crystals (about 2.1 A) when, compared to the previously reported forms (2.3-2.8 A) thus providing a, suitable platform for a structure-based drug design approach. A series of, crystal structures of noncovalent inhibitors complexed with FXa have been, determined, three of which are presented herein. These include compounds, containing the benzamidine moiety and surrogates of the basic group. The, benzamidine-containing compound binds in a canonical fashion typical of, synthetic serine protease inhibitors. On the contrary, molecules that, contain surrogates of the benzamidine group do not make direct, hydrogen-bonding interactions with the carboxylate of Asp189 at the bottom, of the S1 pocket. The structural data provide a likely explanation for the, specificity of these inhibitors and a great aid in the design of, bioavailable potent FXa inhibitors.
Disease
Known disease associated with this structure: Factor X deficiency OMIM:[227600]
About this Structure
1F0S is a Protein complex structure of sequences from Homo sapiens with and as ligands. Active as Coagulation factor Xa, with EC number 3.4.21.6 Full crystallographic information is available from OCA.
Reference
Crystal structures of human factor Xa complexed with potent inhibitors., Maignan S, Guilloteau JP, Pouzieux S, Choi-Sledeski YM, Becker MR, Klein SI, Ewing WR, Pauls HW, Spada AP, Mikol V, J Med Chem. 2000 Aug 24;43(17):3226-32. PMID:10966741
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