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1btp

From Proteopedia

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(New page: 200px<br /><applet load="1btp" size="450" color="white" frame="true" align="right" spinBox="true" caption="1btp, resolution 2.2&Aring;" /> '''UNIQUE BINDING OF A N...)
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[[Image:1btp.gif|left|200px]]<br /><applet load="1btp" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1btp, resolution 2.2&Aring;" />
 
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'''UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX'''<br />
 
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==Overview==
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==UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX==
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Trypsin and, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]-, N-allylglycine methanesulfonate (1), a newly designed and orally active, synthetic trypsin inhibitor, were cocrystallized. The space group of the, crystal is P2(1)2(1)2(1) with cell constants a = 63.74 A, b = 63.08 A, and, c = 69.38 A, which is nearly identical to that of the orthorhombic crystal, of guanidinobenzoyltrypsin. The structure was refined to a, crystallographic residual R = 0.176. The refined model of the 1-trypsin, complex provides the structural basis for the reaction mechanism of 1. On, the basis of the present X-ray results, it is proposed that the potent, inhibitory activity of 1 is mainly due to the formation of an acylated, trypsin through an "inverse substrate mechanism" and its low rate of, deacylation.
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<StructureSection load='1btp' size='340' side='right'caption='[[1btp]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1btp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BTP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1BTP 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]] 2.2&#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=CA:CALCIUM+ION'>CA</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=1btp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1btp OCA], [https://pdbe.org/1btp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1btp RCSB], [https://www.ebi.ac.uk/pdbsum/1btp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1btp ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
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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/bt/1btp_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=1btp ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1BTP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with CA as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1BTP OCA].
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Unique binding of a novel synthetic inhibitor, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]- N-allylglycine methanesulfonate, to bovine trypsin, revealed by the crystal structure of the complex., Odagaki Y, Nakai H, Senokuchi K, Kawamura M, Hamanaka N, Nakamura M, Tomoo K, Ishida T, Biochemistry. 1995 Oct 3;34(39):12849-53. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7548040 7548040]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Trypsin]]
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[[Category: Hamanaka N]]
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[[Category: Hamanaka, N.]]
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[[Category: Ishida T]]
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[[Category: Ishida, T.]]
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[[Category: Kawamura M]]
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[[Category: Kawamura, M.]]
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[[Category: Nakai H]]
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[[Category: Nakai, H.]]
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[[Category: Nakamura M]]
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[[Category: Nakamura, M.]]
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[[Category: Odagaki Y]]
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[[Category: Odagaki, Y.]]
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[[Category: Senokuchi K]]
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[[Category: Senokuchi, K.]]
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[[Category: Tomoo K]]
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[[Category: Tomoo, K.]]
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[[Category: CA]]
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[[Category: hydrolase (serine proteinase)]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 11:54:51 2007''
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Current revision

UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX

PDB ID 1btp

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