1x7a: Difference between revisions

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-[[Image:1x7a.gif|left|200px]]
-<!--
-The line below this paragraph, containing "STRUCTURE_1x7a", creates the "Structure Box" on the page.
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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-{{STRUCTURE_1x7a|  PDB=1x7a  |  SCENE=  }}
-'''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide'''
+==Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide==
+<StructureSection load='1x7a' size='340' side='right'caption='[[1x7a]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1x7a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1X7A FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.9&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=187:1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE'>187</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1x7a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1x7a OCA], [https://pdbe.org/1x7a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1x7a RCSB], [https://www.ebi.ac.uk/pdbsum/1x7a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1x7a ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/FA9_PIG FA9_PIG] Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/x7/1x7a_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</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=1x7a ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99.
-==Overview==
+SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa.,Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:15454208<ref>PMID:15454208</ref>
-Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99.
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-X7A is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7A OCA].
+</div>
+<div class="pdbe-citations 1x7a" style="background-color:#fffaf0;"></div>
-==Reference==
+==See Also==
-SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15454208 15454208]
+*[[Factor IX 3D structures|Factor IX 3D structures]]
-[[Category: Coagulation factor IXa]]
+== References ==
-[[Category: Protein complex]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
 [[Category: Sus scrofa]]
-[[Category: Alexander, R S.]]
+[[Category: Alexander RS]]
-[[Category: Barbera, F.]]
+[[Category: Barbera F]]
-[[Category: Burdick, D.]]
+[[Category: Burdick D]]
-[[Category: Luettgen, J M.]]
+[[Category: Luettgen JM]]
-[[Category: Nakajima, S.]]
+[[Category: Nakajima S]]
-[[Category: Rossi, K A.]]
+[[Category: Rossi KA]]
-[[Category: Smallheer, J M.]]
+[[Category: Smallheer JM]]
-[[Category: Smallwood, A M.]]
+[[Category: Smallwood AM]]
-[[Category: Wang, J.]]
+[[Category: Wang J]]
-[[Category: Wang, S.]]
+[[Category: Wang S]]
-[[Category: Inhibition]]
-[[Category: X-ray structure]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 14:39:29 2008''