1f0r

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[[Image:1f0r.gif|left|200px]]
[[Image:1f0r.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1f0r |SIZE=350|CAPTION= <scene name='initialview01'>1f0r</scene>, resolution 2.10&Aring;
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The line below this paragraph, containing "STRUCTURE_1f0r", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=815:THIENO[3,2-B]PYRIDINE-2-SULFONIC+ACID+[1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE'>815</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1f0r| PDB=1f0r | SCENE= }}
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|RELATEDENTRY=[[1ezq|1EZQ]], [[1f0s|1F0S]], [[1f0t|1F0T]], [[1f0u|1F0U]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1f0r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1f0r OCA], [http://www.ebi.ac.uk/pdbsum/1f0r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1f0r RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815'''
'''CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815'''
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[[Category: Pouzieux, S.]]
[[Category: Pouzieux, S.]]
[[Category: Spada, A P.]]
[[Category: Spada, A P.]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:45:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:13:36 2008''
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Revision as of 12:45, 2 May 2008

Template:STRUCTURE 1f0r

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815


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.

About this Structure

1F0R is a Protein complex structure of sequences from Homo sapiens. 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 Page seeded by OCA on Fri May 2 15:45:14 2008

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