1w7g

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[[Image:1w7g.gif|left|200px]]<br /><applet load="1w7g" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1w7g.gif|left|200px]]
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caption="1w7g, resolution 1.65&Aring;" />
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'''ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107'''<br />
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{{Structure
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|PDB= 1w7g |SIZE=350|CAPTION= <scene name='initialview01'>1w7g</scene>, resolution 1.65&Aring;
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|SITE= <scene name='pdbsite=AC1:Miu+Binding+Site+For+Chain+H'>AC1</scene>
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|LIGAND= <scene name='pdbligand=MIU:N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE'>MIU</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''ALPHA-THROMBIN COMPLEX WITH SULFATED HIRUDIN (RESIDUES 54-65) AND L-ARGININE TEMPLATE INHIBITOR CS107'''
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==Overview==
==Overview==
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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 <scene name='pdbligand=MIU:'>MIU</scene> 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://oca.weizmann.ac.il/oca-bin/ocashort?id=1W7G OCA].
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1W7G is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W7G OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16294249 16294249]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16294249 16294249]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[Category: thrombin]]
[[Category: thrombin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:41:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:53:12 2008''

Revision as of 12:53, 20 March 2008

Image:1w7g.gif


PDB ID 1w7g

Drag the structure with the mouse to rotate
, resolution 1.65Å
Sites:
Ligands:
Activity: Thrombin, with EC number 3.4.21.5
Coordinates: save as pdb, mmCIF, xml



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. 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

Page seeded by OCA on Thu Mar 20 14:53:12 2008

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