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2bvr

From Proteopedia

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[[Image:2bvr.jpg|left|200px]]
 
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{{Structure
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==Human thrombin complexed with fragment-based small molecules occupying the S1 pocket==
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|PDB= 2bvr |SIZE=350|CAPTION= <scene name='initialview01'>2bvr</scene>, resolution 1.25&Aring;
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<StructureSection load='2bvr' size='340' side='right'caption='[[2bvr]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
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|SITE= <scene name='pdbsite=AC1:4cp+Binding+Site+For+Chain+H'>AC1</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=4CP:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE'>4CP</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene>
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<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>
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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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]] 1.25&#8491;</td></tr>
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|GENE=
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<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>
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|DOMAIN=
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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=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>
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|RELATEDENTRY=[[1a2c|1A2C]], [[1a3b|1A3B]], [[1a3e|1A3E]], [[1a46|1A46]], [[1a4w|1A4W]], [[1a5g|1A5G]], [[1a61|1A61]], [[1abi|1ABI]], [[1abj|1ABJ]], [[1ad8|1AD8]], [[1ae8|1AE8]], [[1afe|1AFE]], [[1aht|1AHT]], [[1ai8|1AI8]], [[1aix|1AIX]], [[1awf|1AWF]], [[1awh|1AWH]], [[1ay6|1AY6]], [[1b5g|1B5G]], [[1b7x|1B7X]], [[1ba8|1BA8]], [[1bb0|1BB0]], [[1bcu|1BCU]], [[1bhx|1BHX]], [[1bmm|1BMM]], [[1bmn|1BMN]], [[1bth|1BTH]], [[1c1u|1C1U]], [[1c1v|1C1V]], [[1c1w|1C1W]], [[1c4u|1C4U]], [[1c4v|1C4V]], [[1c4y|1C4Y]], [[1c5l|1C5L]], [[1c5n|1C5N]], [[1c5o|1C5O]], [[1ca8|1CA8]], [[1d3d|1D3D]], [[1d3p|1D3P]], [[1d3q|1D3Q]], [[1d3t|1D3T]], [[1d4p|1D4P]], [[1d6w|1D6W]], [[1d9i|1D9I]], [[1de7|1DE7]], [[1dit|1DIT]], [[1dm4|1DM4]], [[1doj|1DOJ]], [[1dwb|1DWB]], [[1dwc|1DWC]], [[1dwd|1DWD]], [[1dwe|1DWE]], [[1dx5|1DX5]], [[1e0f|1E0F]], [[1eb1|1EB1]], [[1eoj|1EOJ]], [[1eol|1EOL]], [[1fpc|1FPC]], [[1fph|1FPH]], [[1g30|1G30]], [[1g32|1G32]], [[1g37|1G37]], [[1ghv|1GHV]], [[1ghw|1GHW]], [[1ghx|1GHX]], [[1ghy|1GHY]], [[1gj4|1GJ4]], [[1gj5|1GJ5]], [[1h8d|1H8D]], [[1h8i|1H8I]], [[1hag|1HAG]], [[1hah|1HAH]], [[1hai|1HAI]], [[1hao|1HAO]], [[1hap|1HAP]], [[1hbt|1HBT]], [[1hdt|1HDT]], [[1hgt|1HGT]], [[1hlt|1HLT]], [[1hut|1HUT]], [[1hxe|1HXE]], [[1hxf|1HXF]], [[1ihs|1IHS]], [[1iht|1IHT]], [[1jmo|1JMO]], [[1jou|1JOU]], [[1jwt|1JWT]], [[1k21|1K21]], [[1k22|1K22]], [[1kts|1KTS]], [[1ktt|1KTT]], [[1lhc|1LHC]], [[1lhd|1LHD]], [[1lhe|1LHE]], [[1lhf|1LHF]], [[1lhg|1LHG]], [[1mh0|1MH0]], [[1mu6|1MU6]], [[1mu8|1MU8]], [[1mue|1MUE]], [[1nm6|1NM6]], [[1no9|1NO9]], [[1nrn|1NRN]], [[1nro|1NRO]], [[1nrp|1NRP]], [[1nrq|1NRQ]], [[1nrr|1NRR]], [[1nrs|1NRS]], [[1nt1|1NT1]], [[1nu7|1NU7]], [[1nu9|1NU9]], [[1ny2|1NY2]], [[1nzq|1NZQ]], [[1o0d|1O0D]], [[1o2g|1O2G]], [[1o5g|1O5G]], [[1ook|1OOK]], [[1oyt|1OYT]], [[1p8v|1P8V]], [[1ppb|1PPB]], [[1qbv|1QBV]], [[1qhr|1QHR]], [[1qj1|1QJ1]], [[1qj6|1QJ6]], [[1qj7|1QJ7]], [[1qur|1QUR]], [[1qvh|1QVH]], [[1rd3|1RD3]], [[1riw|1RIW]], [[1sb1|1SB1]], [[1sfq|1SFQ]], [[1sg8|1SG8]], [[1sgi|1SGI]], [[1shh|1SHH]], [[1sl3|1SL3]], [[1sr5|1SR5]], [[1t4u|1T4U]], [[1t4v|1T4V]], [[1ta2|1TA2]], [[1ta6|1TA6]], [[1tb6|1TB6]], [[1tbz|1TBZ]], [[1thp|1THP]], [[1thr|1THR]], [[1ths|1THS]], [[1tmb|1TMB]], [[1tmt|1TMT]], [[1tmu|1TMU]], [[1tom|1TOM]], [[1tq0|1TQ0]], [[1tq7|1TQ7]], [[1twx|1TWX]], [[1uma|1UMA]], [[1uvs|1UVS]], [[1vr1|1VR1]], [[1vzq|1VZQ]], [[1w7g|1W7G]], [[1way|1WAY]], [[1wbg|1WBG]], [[1xm1|1XM1]], [[1xmn|1XMN]], [[1zrb|1ZRB]], [[2hgt|2HGT]], [[2hnt|2HNT]], [[2hpp|2HPP]], [[2hpq|2HPQ]], [[2thf|2THF]], [[3hat|3HAT]], [[3htc|3HTC]], [[4htc|4HTC]], [[4thn|4THN]], [[5gds|5GDS]], [[7kme|7KME]], [[8kme|8KME]], [[2bvs|2BVS]], [[2bvx|2BVX]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bvr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bvr OCA], [http://www.ebi.ac.uk/pdbsum/2bvr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bvr RCSB]</span>
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== Function ==
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}}
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[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.
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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/bv/2bvr_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=2bvr ConSurf].
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<div style="clear:both"></div>
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'''HUMAN THROMBIN COMPLEXED WITH FRAGMENT-BASED SMALL MOLECULES OCCUPYING THE S1 POCKET'''
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==See Also==
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*[[Hirudin 3D structures|Hirudin 3D structures]]
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*[[Thrombin 3D Structures|Thrombin 3D Structures]]
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==About this Structure==
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__TOC__
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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].
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</StructureSection>
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[[Category: Hirudo medicinalis]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Thrombin]]
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[[Category: Burkert K]]
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[[Category: Burkert, K.]]
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[[Category: Deppe H]]
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[[Category: Deppe, H.]]
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[[Category: Feurer A]]
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[[Category: Feurer, A.]]
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[[Category: Gamer J]]
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[[Category: Gamer, J.]]
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[[Category: Junker H-D]]
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[[Category: Junker, H D.]]
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[[Category: Keil O]]
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[[Category: Keil, O.]]
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[[Category: Metz G]]
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[[Category: Metz, G.]]
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[[Category: Neumann T]]
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[[Category: Neumann, T.]]
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[[Category: Ottleben H]]
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[[Category: Ottleben, H.]]
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[[Category: Sekul R]]
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[[Category: Sekul, R.]]
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[[Category: Tomandl D]]
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[[Category: Tomandl, D.]]
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[[Category: coagulation]]
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[[Category: hydrolase]]
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[[Category: serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:12:29 2008''
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Current revision

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

PDB ID 2bvr

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