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1fax

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[[Image:1fax.jpg|left|200px]]
[[Image:1fax.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1fax |SIZE=350|CAPTION= <scene name='initialview01'>1fax</scene>, resolution 3.0&Aring;
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The line below this paragraph, containing "STRUCTURE_1fax", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=CAT:Catalytic+Center+Of+SER+Protease'>CAT</scene>
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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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DX9:(+)-2-[4-[((S)-1-ACETIMIDOYL-3-PYRRODINYL)OXY]-3-(7-AMIDINO-2-NAPTHYL)PROPIONIC+ACID'>DX9</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_1fax| PDB=1fax | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fax FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fax OCA], [http://www.ebi.ac.uk/pdbsum/1fax PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fax RCSB]</span>
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}}
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'''COAGULATION FACTOR XA INHIBITOR COMPLEX'''
'''COAGULATION FACTOR XA INHIBITOR COMPLEX'''
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[[Category: Brandstetter, H.]]
[[Category: Brandstetter, H.]]
[[Category: Engh, R A.]]
[[Category: Engh, R A.]]
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[[Category: blood coagulation factor]]
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[[Category: Blood coagulation factor]]
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[[Category: calcium-binding]]
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[[Category: Calcium-binding]]
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[[Category: gamma-carboxyglutamic acid]]
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[[Category: Gamma-carboxyglutamic acid]]
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[[Category: glycoprotein]]
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[[Category: Glycoprotein]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: plasma]]
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[[Category: Plasma]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 16:07:01 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:19:20 2008''
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Revision as of 13:07, 2 May 2008

Image:1fax.jpg

Template:STRUCTURE 1fax

COAGULATION FACTOR XA INHIBITOR COMPLEX


Overview

The 3.0-A resolution x-ray structure of human des-Gla-coagulation factor Xa (fXa) has been determined in complex with the synthetic inhibitor DX-9065a. The binding geometry is characterized primarily by two interaction sites: the naphthamidine group is fixed in the S1 pocket by a typical salt bridge to Asp-189, while the pyrrolidine ring binds in the unique aryl-binding site (S4) of fXa. Unlike the large majority of inhibitor complexes with serine proteinases, Gly-216 (S3) does not contribute to hydrogen bond formation. In contrast to typical thrombin binding modes, the S2 site of fXa cannot be used by DX-9065a since it is blocked by Tyr-99, and the aryl-binding site (S4) of fXa is lined by carbonyl oxygen atoms that can accommodate positive charges. This has implications for natural substrate recognition as well as for drug design.

About this Structure

1FAX is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition., Brandstetter H, Kuhne A, Bode W, Huber R, von der Saal W, Wirthensohn K, Engh RA, J Biol Chem. 1996 Nov 22;271(47):29988-92. PMID:8939944 Page seeded by OCA on Fri May 2 16:07:01 2008

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