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1w0y

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[[Image:1w0y.gif|left|200px]]<br />
 
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<applet load="1w0y" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1w0y, resolution 2.50&Aring;" />
 
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'''TF7A_3771 COMPLEX'''<br />
 
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==Overview==
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==tf7a_3771 complex==
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Proof of concept experiments have shown that tissue factor/factor VIIa, inhibitors have antithrombotic activity without enhancing bleeding, propensity. Starting from lead compounds generated by a biased, combinatorial approach, phenylglycine amide tissue factor/factor VIIa, inhibitors with low nanomolar affinity and good selectivity against other, serine proteases of the coagulation cascade were designed, using the, guidance of X-ray structural analysis and molecular modelling.
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<StructureSection load='1w0y' size='340' side='right'caption='[[1w0y]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1w0y]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W0Y OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W0Y FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=771:4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE'>771</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CAC:CACODYLATE+ION'>CAC</scene>, <scene name='pdbligand=CGU:GAMMA-CARBOXY-GLUTAMIC+ACID'>CGU</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1w0y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w0y OCA], [https://pdbe.org/1w0y PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w0y RCSB], [https://www.ebi.ac.uk/pdbsum/1w0y PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w0y ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TF_HUMAN TF_HUMAN] Initiates blood coagulation by forming a complex with circulating factor VII or VIIa. The [TF:VIIa] complex activates factors IX or X by specific limited protolysis. TF plays a role in normal hemostasis by initiating the cell-surface assembly and propagation of the coagulation protease cascade.<ref>PMID:12652293</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w0/1w0y_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1w0y ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Proof of concept experiments have shown that tissue factor/factor VIIa inhibitors have antithrombotic activity without enhancing bleeding propensity. Starting from lead compounds generated by a biased combinatorial approach, phenylglycine amide tissue factor/factor VIIa inhibitors with low nanomolar affinity and good selectivity against other serine proteases of the coagulation cascade were designed, using the guidance of X-ray structural analysis and molecular modelling.
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==About this Structure==
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Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.,Groebke Zbinden K, Banner DW, Ackermann J, D'Arcy A, Kirchhofer D, Ji YH, Tschopp TB, Wallbaum S, Weber L Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22. PMID:15664864<ref>PMID:15664864</ref>
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1W0Y 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 FUC, BGC, CA, CAC and 771 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_VIIa Coagulation factor VIIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.21 3.4.21.21] Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W0Y OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors., Groebke Zbinden K, Banner DW, Ackermann J, D'Arcy A, Kirchhofer D, Ji YH, Tschopp TB, Wallbaum S, Weber L, Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15664864 15664864]
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</div>
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[[Category: Coagulation factor VIIa]]
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<div class="pdbe-citations 1w0y" style="background-color:#fffaf0;"></div>
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[[Category: Homo sapiens]]
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[[Category: Protein complex]]
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[[Category: Ackermann, J.]]
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[[Category: Arcy, A.D.]]
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[[Category: Banner, D.W.]]
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[[Category: Groebke-Zbinden, K.]]
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[[Category: Ji, Y.H.]]
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[[Category: Kirchhofer, D.]]
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[[Category: Tschopp, T.B.]]
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[[Category: Wallbaum, S.]]
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[[Category: Weber, L.]]
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[[Category: 771]]
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[[Category: BGC]]
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[[Category: CA]]
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[[Category: CAC]]
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[[Category: FUC]]
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[[Category: blood coagulation]]
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[[Category: calcium-binding]]
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[[Category: co-factor]]
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[[Category: coagulation]]
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[[Category: enzyme complex]]
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[[Category: gamma-carboxyglutamic acid]]
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[[Category: glycoprotein]]
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[[Category: hydrolase]]
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[[Category: plasma]]
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[[Category: serine protease]]
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[[Category: vitamin k]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 14:47:55 2007''
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==See Also==
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*[[Factor VIIa 3D structures|Factor VIIa 3D structures]]
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*[[Tissue factor|Tissue factor]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Ackermann J]]
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[[Category: Banner DW]]
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[[Category: D'Arcy A]]
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[[Category: Groebke-Zbinden K]]
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[[Category: Ji Y-H]]
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[[Category: Kirchhofer D]]
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[[Category: Tschopp TB]]
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[[Category: Wallbaum S]]
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[[Category: Weber L]]

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tf7a_3771 complex

PDB ID 1w0y

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