1w7g

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[[Image:1w7g.gif|left|200px]]<br />
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[[Image:1w7g.gif|left|200px]]<br /><applet load="1w7g" size="450" color="white" frame="true" align="right" spinBox="true"
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<applet load="1w7g" size="450" color="white" frame="true" align="right" spinBox="true"
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caption="1w7g, resolution 1.65&Aring;" />
caption="1w7g, resolution 1.65&Aring;" />
'''ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107'''<br />
'''ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107'''<br />
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==About this Structure==
==About this Structure==
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1W7G 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 MIU as [http://en.wikipedia.org/wiki/ligand ligand]. 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=1W7G OCA].
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1W7G 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 MIU as [http://en.wikipedia.org/wiki/ligand ligand]. 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] Known structural/functional Site: <scene name='pdbsite=AC1:Miu Binding Site For Chain H'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W7G OCA].
==Reference==
==Reference==
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[[Category: thrombin]]
[[Category: thrombin]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 19:47:27 2007''
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 18:33:18 2007''

Revision as of 16:23, 18 December 2007


1w7g, resolution 1.65Å

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ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107

Contents

Overview

Piperazinyl-amide derivatives of, N-alpha-(3-trifluoromethyl-benzenesulfonyl)-L-arginine (1) were, synthesized as graftable thrombin inhibitors. The possible disturbance of, biological activity due to a variable spacer-arm fixed on the N-4, piperazinyl position was evaluated in vitro, against human alpha-thrombin, and in blood coagulation assay. Molecular modelling (in silico analysis), and X-ray diffraction studies of thrombin-inhibitor complexes were also, performed. The fixation of bioactive molecules on poly(butylene, terephthalate) (PBT) and poly(ethylene terephthalate) (PET) membranes was, performed by wet chemistry treatment and evaluated by XPS analysis., Surface grafting of inhibitor 1d improved the membrane hemocompatibility, by reducing blood clot formation on the modified surface.

Disease

Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this Structure

1W7G is a Protein complex structure of sequences from Homo sapiens with MIU as ligand. Active as Thrombin, with EC number 3.4.21.5 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

Design, synthesis and evaluation of graftable thrombin inhibitors for the preparation of blood-compatible polymer materials., Salvagnini C, Michaux C, Remiche J, Wouters J, Charlier P, Marchand-Brynaert J, Org Biomol Chem. 2005 Dec 7;3(23):4209-20. Epub 2005 Oct 19. PMID:16294249

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