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==THE NMR SOLUTION STRUCTURE OF A KUNITZ-TYPE PROTEINASE INHIBITOR FROM THE SEA ANEMONE STICHODACTYLA HELIANTHUS==
==THE NMR SOLUTION STRUCTURE OF A KUNITZ-TYPE PROTEINASE INHIBITOR FROM THE SEA ANEMONE STICHODACTYLA HELIANTHUS==
<StructureSection load='1shp' size='340' side='right'caption='[[1shp]], [[NMR_Ensembles_of_Models | 20 NMR models]]' scene=''>
<StructureSection load='1shp' size='340' side='right'caption='[[1shp]]' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1shp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Actinia_helianthus Actinia helianthus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SHP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SHP FirstGlance]. <br>
<table><tr><td colspan='2'>[[1shp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Stichodactyla_helianthus Stichodactyla helianthus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SHP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SHP FirstGlance]. <br>
</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=1shp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1shp OCA], [https://pdbe.org/1shp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1shp RCSB], [https://www.ebi.ac.uk/pdbsum/1shp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1shp ProSAT]</span></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=1shp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1shp OCA], [https://pdbe.org/1shp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1shp RCSB], [https://www.ebi.ac.uk/pdbsum/1shp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1shp ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[https://www.uniprot.org/uniprot/ISH1_STOHE ISH1_STOHE]] Active against serine, cysteine, and aspartic proteinases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:9027993</ref> <ref>PMID:22975140</ref>
[https://www.uniprot.org/uniprot/VKT1_STIHL VKT1_STIHL] Active against serine, cysteine, and aspartic proteases. Can bind vertebrate trypsin and chymotrypsin.<ref>PMID:22975140</ref> <ref>PMID:9027993</ref>  
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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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=1shp ConSurf].
</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=1shp ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The solution structure of a 55-amino-acid Kunitz-type proteinase inhibitor, ShPI, purified from the Caribbean sea anemone Stichodactyla helianthus, was determined by NMR spectroscopy. Nearly complete sequence-specific 1H-NMR assignments were obtained at pH 4.6 and 36 degrees C, and stereo-specific assignments were determined for 23 pairs of diastereotopic substituents. A data set of 666 upper distance limit constraints and 122 dihedral angle constraints collected on this basis was used as input for a structure calculation with the program DIANA. Following energy minimization with the program OPAL, the average root-mean-square diviation (RMSD) of the 20 DIANA conformers used to represent the solution structure relative to the mean structure is 61 pm for all backbone atoms N, C alpha and C', and 106 pm for all heavy atoms of residues 2-53. This high-quality solution structure of ShPI has a nearly identical molecular architecture as the bovine pancreatic trypsin inhibitor (BPTI), despite a mere 35% of sequence similarity between the two proteins. Exchange rates measured for 48 out of the 51 backbone amide protons showed that the positions of 20 slowly exchanging amide protons correlate well with hydrogen bonds involving these protons in the energy-minimized solution structure. The solution structure of ShPI is compared to the four homologous proteins for which the three-dimensional structure is also available.
The NMR solution structure of a Kunitz-type proteinase inhibitor from the sea anemone Stichodactyla helianthus.,Antuch W, Berndt KD, Chavez MA, Delfin J, Wuthrich K Eur J Biochem. 1993 Mar 15;212(3):675-84. PMID:8462542<ref>PMID:8462542</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1shp" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Actinia helianthus]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Antuch, W]]
[[Category: Stichodactyla helianthus]]
[[Category: Berndt, K]]
[[Category: Antuch W]]
[[Category: Chavez, M]]
[[Category: Berndt K]]
[[Category: Delfin, J]]
[[Category: Chavez M]]
[[Category: Wuthrich, K]]
[[Category: Delfin J]]
[[Category: Wuthrich K]]
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