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1ejm

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[[Image:1ejm.jpg|left|200px]]
 
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{{Structure
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==CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN==
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|PDB= 1ejm |SIZE=350|CAPTION= <scene name='initialview01'>1ejm</scene>, resolution 1.85&Aring;
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<StructureSection load='1ejm' size='340' side='right'caption='[[1ejm]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=SO4:SULFATE ION'>SO4</scene>
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<table><tr><td colspan='2'>[[1ejm]] is a 6 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=1EJM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EJM FirstGlance]. <br>
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|ACTIVITY= [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]
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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]] 1.85&#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=SO4:SULFATE+ION'>SO4</scene></td></tr>
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}}
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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=1ejm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ejm OCA], [https://pdbe.org/1ejm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ejm RCSB], [https://www.ebi.ac.uk/pdbsum/1ejm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ejm 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/ej/1ejm_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=1ejm ConSurf].
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<div style="clear:both"></div>
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'''CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN'''
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==See Also==
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*[[BPTI 3D structures|BPTI 3D structures]]
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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==Overview==
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__TOC__
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The role of the S(1) subsite in trypsin, chymotrypsin and plasmin has been examined by measuring the association with seven different mutants of bovine pancreatic trypsin inhibitor (BPTI); the mutants contain Gly, Ala, Ser, Val, Leu, Arg, and Trp at the P(1) position of the reactive site. The effects of substitutions at the P(1) position on the association constants are very large, comprising seven orders of magnitude for trypsin and plasmin, and over five orders for chymotrypsin. All mutants showed a decrease of the association constant to the three proteinases in the same order: Ala&gt;Gly&gt;Ser&gt;Arg&gt;Val&gt;Leu&gt;Trp. Calorimetric and circular dichroism methods showed that none of the P1 substitutions, except the P1-Val mutant, lead to destabilisation of the binding loop conformation. The X-ray structure of the complex formed between bovine beta-trypsin and P(1)-Leu BPTI showed that the P(1)-Leu sterically conflicts with the side-chain of P(3)-Ile, which thereby is forced to rotate approximately 90 degrees. Ile18 (P(3)) in its new orientation, in turn interacts with the Tyr39 side-chain of trypsin. Introduction of a large side-chain at the P1' position apparently leads to a cascade of small alterations of the trypsin-BPTI interface that seem to destabilise the complex by it adopting a less optimized packing and by tilting the BPTI molecule up to 15 degrees compared to the native trypsin-BPTI complex.
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</StructureSection>
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==About this Structure==
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1EJM is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EJM OCA].
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==Reference==
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Substitutions at the P(1) position in BPTI strongly affect the association energy with serine proteinases., Grzesiak A, Helland R, Smalas AO, Krowarsch D, Dadlez M, Otlewski J, J Mol Biol. 2000 Aug 4;301(1):205-17. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10926503 10926503]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Trypsin]]
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[[Category: Grzesiak A]]
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[[Category: Grzesiak, A.]]
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[[Category: Helland R]]
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[[Category: Helland, R.]]
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[[Category: Krowarsch D]]
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[[Category: Krowarsch, D.]]
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[[Category: Otlewski J]]
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[[Category: Otlewski, J.]]
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[[Category: Smalas A]]
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[[Category: Smalas, A.]]
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[[Category: SO4]]
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[[Category: complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:56:28 2008''
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Current revision

CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN

PDB ID 1ejm

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