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[[Image:2bvr.jpg|left|200px]]


{{Structure
==Human thrombin complexed with fragment-based small molecules occupying the S1 pocket==
|PDB= 2bvr |SIZE=350|CAPTION= <scene name='initialview01'>2bvr</scene>, resolution 1.25&Aring;
<StructureSection load='2bvr' size='340' side='right'caption='[[2bvr]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:4cp+Binding+Site+For+Chain+H'>AC1</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=4CP:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE'>4CP</scene>
<table><tr><td colspan='2'>[[2bvr]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BVR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BVR FirstGlance]. <br>
|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]  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.25&#8491;</td></tr>
|GENE=  
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4CP:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE'>4CP</scene>, <scene name='pdbligand=TYS:O-SULFO-L-TYROSINE'>TYS</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=2bvr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bvr OCA], [https://pdbe.org/2bvr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bvr RCSB], [https://www.ebi.ac.uk/pdbsum/2bvr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bvr ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/HIRV2_HIRME HIRV2_HIRME] Hirudin is a potent thrombin-specific protease inhibitor. It forms a stable non-covalent complex with alpha-thrombin, thereby abolishing its ability to cleave fibrinogen.
== 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/bv/2bvr_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=2bvr ConSurf].
<div style="clear:both"></div>


'''HUMAN THROMBIN COMPLEXED WITH FRAGMENT-BASED SMALL MOLECULES OCCUPYING THE S1 POCKET'''
==See Also==
 
*[[Hirudin 3D structures|Hirudin 3D structures]]
 
*[[Thrombin 3D Structures|Thrombin 3D Structures]]
==Disease==
__TOC__
Known diseases associated with this structure: Dysprothrombinemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176930 176930]], Hyperprothrombinemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176930 176930]], Hypoprothrombinemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176930 176930]]
</StructureSection>
 
[[Category: Hirudo medicinalis]]
==About this Structure==
2BVR 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=2BVR OCA].
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein complex]]
[[Category: Large Structures]]
[[Category: Thrombin]]
[[Category: Burkert K]]
[[Category: Burkert, K.]]
[[Category: Deppe H]]
[[Category: Deppe, H.]]
[[Category: Feurer A]]
[[Category: Feurer, A.]]
[[Category: Gamer J]]
[[Category: Gamer, J.]]
[[Category: Junker H-D]]
[[Category: Junker, H D.]]
[[Category: Keil O]]
[[Category: Keil, O.]]
[[Category: Metz G]]
[[Category: Metz, G.]]
[[Category: Neumann T]]
[[Category: Neumann, T.]]
[[Category: Ottleben H]]
[[Category: Ottleben, H.]]
[[Category: Sekul R]]
[[Category: Sekul, R.]]
[[Category: Tomandl D]]
[[Category: Tomandl, D.]]
[[Category: 4CP]]
[[Category: coagulation]]
[[Category: hydrolase]]
[[Category: serine protease]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:07:21 2008''

Latest revision as of 11:24, 22 May 2024

Human thrombin complexed with fragment-based small molecules occupying the S1 pocket

2bvr, resolution 1.25Å

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