5jb7: Difference between revisions
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New page: '''Unreleased structure''' The entry 5jb7 is ON HOLD Authors: Islam, M.M. Description: A simplified BPTI variant containing 24 alanines out of 58 residues [[Category: Unreleased Struct... |
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==A simplified BPTI variant containing 24 alanines out of 58 residues== | |||
<StructureSection load='5jb7' size='340' side='right'caption='[[5jb7]], [[Resolution|resolution]] 1.90Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5jb7]] is a 3 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=5JB7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JB7 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]] 1.9Å</td></tr> | |||
<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> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5jb7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jb7 OCA], [https://pdbe.org/5jb7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jb7 RCSB], [https://www.ebi.ac.uk/pdbsum/5jb7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jb7 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/BPT1_BOVIN BPT1_BOVIN] Inhibits trypsin, kallikrein, chymotrypsin, and plasmin. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
We report a thermodynamic and structural analysis of six extensively simplified bovine pancreatic trypsin inhibitor (BPTI) variants containing 19-24 alanines out of 58 residues. Differential scanning calorimetry indicated a two-state thermal unfolding, typical of a native protein with densely packed interior. Surprisingly, increasing the number of alanines induced enthalpy stabilization, which was however over-compensated by entropy destabilization. X-ray crystallography indicated that the alanine substitutions caused the recruitment of novel water molecules facilitating the formation of protein-water hydrogen bonds and improving the hydration shells around the alanine's methyl groups, both of which presumably contributed to enthalpy stabilization. There was a strong correlation between the number of water molecules and the thermodynamic parameters. Overall, our results demonstrate that, in contrast to our initial expectation, a protein sequence in which over 40% of the residues are alanines can retain a densely packed structure and undergo thermal denaturation with a large enthalpy change, mainly contributed by hydration. | |||
Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy.,Islam MM, Yohda M, Kidokoro SI, Kuroda Y Sci Rep. 2017 Mar 7;7:41205. doi: 10.1038/srep41205. PMID:28266637<ref>PMID:28266637</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Islam | <div class="pdbe-citations 5jb7" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[BPTI 3D structures|BPTI 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Bos taurus]] | |||
[[Category: Large Structures]] | |||
[[Category: Islam MM]] | |||
