7a9k
From Proteopedia
(Difference between revisions)
| (One intermediate revision not shown.) | |||
| Line 3: | Line 3: | ||
<StructureSection load='7a9k' size='340' side='right'caption='[[7a9k]], [[Resolution|resolution]] 1.62Å' scene=''> | <StructureSection load='7a9k' size='340' side='right'caption='[[7a9k]], [[Resolution|resolution]] 1.62Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'> | + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A9K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A9K FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=R5Q:Co-substituted+Keggin+silicotungstate'>R5Q</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.62Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=R5Q:Co-substituted+Keggin+silicotungstate'>R5Q</scene>, <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=7a9k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9k OCA], [https://pdbe.org/7a9k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a9k RCSB], [https://www.ebi.ac.uk/pdbsum/7a9k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9k ProSAT]</span></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=7a9k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a9k OCA], [https://pdbe.org/7a9k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a9k RCSB], [https://www.ebi.ac.uk/pdbsum/7a9k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a9k ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| - | == Function == | ||
| - | [https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ] Hydrolyzes keratin at aromatic and hydrophobic residues. | ||
| - | <div style="background-color:#fffaf0;"> | ||
| - | == Publication Abstract from PubMed == | ||
| - | We report on the synthesis of the tetrasubstituted sandwich-type Keggin silicotungstates as the pure Na salts Na14[(A-alpha-SiW10O37)2{Co4(OH)2(H2O)2}].37H2O (Na{SiW10Co2}2) and Na14[(A-alpha-SiW10O37)2{Ni4(OH)2(H2O)2}].77.5H2O (Na{SiW10Ni2}2), which were prepared by applying a new synthesis protocol and characterized thoroughly in the solid state by single-crystal and powder X-ray diffraction, IR spectroscopy, thermogravimetric analysis, and elemental analysis. Proteinase K was applied as a model protein and the polyoxotungstate (POT)-protein interactions of Na{SiW10Co2}2 and Na{SiW10Ni2}2 were studied side by side with the literature-known K5Na3[A-alpha-SiW9O34(OH)3{Co4(OAc)3}].28.5H2O ({SiW9Co4}) featuring the same number of transition metals. Testing the solution behavior of applied POTs under the crystallization conditions (sodium acetate buffer, pH 5.5) by time-dependent UV/vis spectroscopy and electrospray ionization mass spectrometry speciation studies revealed an initial dissociation of the sandwich POTs to the disubstituted Keggin anions HxNa5-x[SiW10Co2O38](3-) and HxNa5-x[SiW10Ni2O38](3-) ({SiW10M2}, M = Co(II) and Ni(II)) followed by partial rearrangement to the monosubstituted compounds (alpha-{SiW11Co} and alpha-{SiW11Ni}) after 1 week of aging. The protein crystal structure analysis revealed monosubstituted alpha-Keggin POTs in two conserved binding positions for all three investigated compounds, with one of these positions featuring a covalent attachment of the POT anion to an aspartate carboxylate. Despite the presence of both mono- and disubstituted anions in a crystallization mixture, proteinase K selectively binds to monosubstituted anions because of their preferred charge density for POT-protein interaction. | ||
| - | |||
| - | Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.,Breibeck J, Tanuhadi E, Gumerova NI, Giester G, Prado-Roller A, Rompel A Inorg Chem. 2021 Oct 18;60(20):15096-15100. doi: 10.1021/acs.inorgchem.1c02005., Epub 2021 Sep 16. PMID:34529407<ref>PMID:34529407</ref> | ||
| - | |||
| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| - | </div> | ||
| - | <div class="pdbe-citations 7a9k" style="background-color:#fffaf0;"></div> | ||
==See Also== | ==See Also== | ||
*[[Proteinase 3D structures|Proteinase 3D structures]] | *[[Proteinase 3D structures|Proteinase 3D structures]] | ||
| - | == References == | ||
| - | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Parengyodontium album]] | ||
[[Category: Breibeck J]] | [[Category: Breibeck J]] | ||
[[Category: Rompel A]] | [[Category: Rompel A]] | ||
Current revision
Co-substituted Keggin silicotungstate with covalent bond to proteinase K
| |||||||||||
