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New page: left|200px<br /><applet load="1sbn" size="450" color="white" frame="true" align="right" spinBox="true" caption="1sbn, resolution 2.1Å" /> '''REFINED CRYSTAL STRUC...
 
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[[Image:1sbn.gif|left|200px]]<br /><applet load="1sbn" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1sbn, resolution 2.1&Aring;" />
'''REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES'''<br />


==Overview==
==REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES==
The crystal structures of the complexes formed between subtilisin Novo and, three inhibitors, eglin c, Arg45-eglin c and Lys53-eglin c have been, determined using molecular replacement and difference Fourier techniques, and refined at 2.4 A, 2.1 A, and 2.4 A resolution, respectively. The, mutants Arg45-eglin c and Lys53-eglin c were constructed by site-directed, mutagenesis in order to investigate the inhibitory specificity and, stability of eglin c. Arg45-eglin became a potent trypsin inhibitor, in, contrast to native eglin, which is an elastase inhibitor. This specificity, change was rationalized by comparing the structures of Arg45-eglin and, basic pancreatic trypsin inhibitor and their interactions with trypsin., The residue Arg53, which participates in a complex network of hydrogen, bonds formed between the core and the binding loop of eglin c, was, replaced with the shorter basic amino acid lysine in the mutant, Lys53-eglin. Two hydrogen bonds with Thr44, located in the binding loop, can no longer be formed but are partially restored by a water molecule, bound in the vicinity of Lys53. Eglin c in complexes with both subtilisin, Novo and subtilisin Carlsberg was crystallized in two different space, groups. Comparison of the complexes showed a rigid body rotation for the, eglin c core of 11.5 degrees with respect to the enzyme, probably caused, by different intermolecular contacts in both crystal forms.
<StructureSection load='1sbn' size='340' side='right'caption='[[1sbn]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1sbn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis] and [https://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SBN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SBN 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]] 2.1&#8491;</td></tr>
<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>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1sbn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sbn OCA], [https://pdbe.org/1sbn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1sbn RCSB], [https://www.ebi.ac.uk/pdbsum/1sbn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1sbn ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/ICIC_HIRME ICIC_HIRME] Inhibits both elastase and cathepsin G.
== 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/sb/1sbn_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=1sbn ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1SBN is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis] and [http://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis] with CA as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Subtilisin Subtilisin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.62 3.4.21.62] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1SBN OCA].
*[[Eglin|Eglin]]
 
*[[Subtilisin 3D structures|Subtilisin 3D structures]]
==Reference==
__TOC__
Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes., Heinz DW, Priestle JP, Rahuel J, Wilson KS, Grutter MG, J Mol Biol. 1991 Jan 20;217(2):353-71. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1992167 1992167]
</StructureSection>
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
[[Category: Hirudo medicinalis]]
[[Category: Hirudo medicinalis]]
[[Category: Protein complex]]
[[Category: Large Structures]]
[[Category: Subtilisin]]
[[Category: Gruetter MG]]
[[Category: Gruetter, M.G.]]
[[Category: Heinz DW]]
[[Category: Heinz, D.W.]]
[[Category: Priestle JP]]
[[Category: Priestle, J.P.]]
[[Category: CA]]
[[Category: complex(proteinase/inhibitor)]]
 
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Retrieved from "https://proteopedia.org/1sbn"