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4ge3

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==Schizosaccharomyces pombe DJ-1 T114V mutant==
==Schizosaccharomyces pombe DJ-1 T114V mutant==
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<StructureSection load='4ge3' size='340' side='right' caption='[[4ge3]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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<StructureSection load='4ge3' size='340' side='right'caption='[[4ge3]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4ge3]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Cbs_356 Cbs 356]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GE3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GE3 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4ge3]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Schizosaccharomyces_pombe Schizosaccharomyces pombe]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GE3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GE3 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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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]] 1.5&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene></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=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4gdn|4gdn]], [[4ge0|4ge0]]</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=4ge3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ge3 OCA], [https://pdbe.org/4ge3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ge3 RCSB], [https://www.ebi.ac.uk/pdbsum/4ge3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ge3 ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">SPAC22E12.03c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4896 CBS 356])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ge3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ge3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ge3 RCSB], [http://www.ebi.ac.uk/pdbsum/4ge3 PDBsum]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/DJ1_SCHPO DJ1_SCHPO]
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Cysteine residues with depressed pK(a) values are critical for the functions of many proteins. Several types of interactions can stabilize cysteine thiolate anions, including hydrogen bonds between thiol(ate)s and nearby residues as well as electrostatic interactions involving charged residues or dipoles. Dipolar stabilization of thiolates by peptide groups has been suggested to play a particularly important role near the N-termini of alpha-helices. Using a combination of X-ray crystallography, site-directed mutagenesis, and spectroscopic methods, we show that the reactive cysteine residue (Cys111) in Schizosaccharomyces pombe DJ-1 experiences a 0.6 unit depression of its thiol pK(a) as a consequence of a hydrogen bond donated by a threonine sidechain (Thr114) to a nearby peptide carbonyl oxygen at the N-terminus of an alpha-helix. This extended hydrogen bonded interaction is consistent with a sum of dipoles model whereby the distal hydrogen bond polarizes and strengthens the direct hydrogen bond between the proximal amide hydrogen and the cysteine thiol(ate). Therefore, our results suggest that the local dipolar enhancement of hydrogen bonds can appreciably stabilize cysteine thiolate formation. However, the substitution of a valine residue with a proline at the i+3 position has only a minor effect (0.3 units) on the pK(a) of Cys111. As proline has a reduced peptide dipole moment, this small effect suggests that a more extended helix macrodipolar effect does not play a major role in this system. (c) 2012 The Authors Journal compilation (c) 2012 FEBS.
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Influence of Peptide Dipoles and Hydrogen Bonds on Reactive Cysteine pK(a) Values in Fission Yeast DJ-1.,Madzelan P, Labunksa T, Wilson MA FEBS J. 2012 Sep 12. doi: 10.1111/febs.12004. PMID:22971103<ref>PMID:22971103</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Cbs 356]]
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[[Category: Large Structures]]
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[[Category: Labunska, T]]
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[[Category: Schizosaccharomyces pombe]]
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[[Category: Madzelan, P]]
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[[Category: Labunska T]]
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[[Category: Wilson, M A]]
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[[Category: Madzelan P]]
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[[Category: Dj-1/pfpi family]]
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[[Category: Wilson MA]]
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[[Category: Unknown function]]
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Current revision

Schizosaccharomyces pombe DJ-1 T114V mutant

PDB ID 4ge3

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