4y0y

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(New page: '''Unreleased structure''' The entry 4y0y is ON HOLD until Paper Publication Authors: Loll, B., Ye, S., Berger, A.A., Muelow, U., Alings, C., Wahl, M.C., Koksch, B. Description: [[Cat...)
Current revision (10:51, 10 January 2024) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 4y0y is ON HOLD until Paper Publication
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==Trypsin in complex with with BPTI==
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<StructureSection load='4y0y' size='340' side='right'caption='[[4y0y]], [[Resolution|resolution]] 1.25&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4y0y]] is a 2 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=4Y0Y OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Y0Y 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]] 1.25&#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>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4y0y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y0y OCA], [https://pdbe.org/4y0y PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4y0y RCSB], [https://www.ebi.ac.uk/pdbsum/4y0y PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4y0y 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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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Introducing fluorine into molecules has a wide range of effects on their physicochemical properties, often desirable but in most cases unpredictable. The fluorine atom imparts the C-F bond with low polarizability and high polarity, and significantly affects the behavior of neighboring functional groups, in a covalent or noncovalent manner. Here, we report that fluorine, present in the form of a single fluoroalkyl amino acid side chain in the P1 position of the well-characterized serine-protease inhibitor BPTI, can fully restore inhibitor activity to a mutant that contains the corresponding hydrocarbon side chain at the same site. High resolution crystal structures were obtained for four BPTI variants in complex with bovine beta-trypsin, revealing changes in the stoichiometry and dynamics of water molecules in the S1 subsite. These results demonstrate that the introduction of fluorine into a protein environment can result in "chemical complementation" that has a significantly favorable impact on protein-protein interactions.
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Authors: Loll, B., Ye, S., Berger, A.A., Muelow, U., Alings, C., Wahl, M.C., Koksch, B.
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Fluorine teams up with water to restore inhibitor activity to mutant BPTI.,Ye S, Loll B, Berger AA, Mulow U, Alings C, Wahl MC, Koksch B Chem Sci. 2015 Sep 1;6(9):5246-5254. doi: 10.1039/c4sc03227f. Epub 2015 Jun 12. PMID:29449928<ref>PMID:29449928</ref>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Wahl, M.C]]
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<div class="pdbe-citations 4y0y" style="background-color:#fffaf0;"></div>
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[[Category: Alings, C]]
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[[Category: Ye, S]]
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==See Also==
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[[Category: Koksch, B]]
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*[[BPTI 3D structures|BPTI 3D structures]]
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[[Category: Loll, B]]
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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[[Category: Berger, A.A]]
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== References ==
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[[Category: Muelow, U]]
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Bos taurus]]
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[[Category: Large Structures]]
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[[Category: Alings C]]
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[[Category: Berger AA]]
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[[Category: Koksch B]]
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[[Category: Loll B]]
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[[Category: Muelow U]]
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[[Category: Wahl MC]]
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[[Category: Ye S]]

Current revision

Trypsin in complex with with BPTI

PDB ID 4y0y

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