8gr6: Difference between revisions

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~~'''Unreleased structure'''~~

~~The entry~~ 8gr6 is ~~ON HOLD until Paper~~ Publication

==Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis==

== Structural highlights ==

<table><tr><td colspan='2'>[[8gr6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_sanguinis_SK36 Streptococcus sanguinis SK36]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8GR6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GR6 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MHS:N1-METHYLATED+HISTIDINE'>MHS</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8gr6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8gr6 OCA], [https://pdbe.org/8gr6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8gr6 RCSB], [https://www.ebi.ac.uk/pdbsum/8gr6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8gr6 ProSAT]</span></td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/A3CPB4_STRSV A3CPB4_STRSV]

== Publication Abstract from PubMed ==

Dental plaque is a complex microbial biofilm community of many species and a major cause of oral infections and infectious endocarditis. Plaque development begins when primary colonizers attach to oral tissues and undergo coaggregation. Primary colonizers facilitate cellular attachment and inter-bacterial interactions through sortase-dependent pili (or fimbriae) extending out from their cell surface. Consequently, the sortase enzyme is viewed as a potential drug target for controlling biofilm formation and avoiding infection. Streptococcus sanguinis is a primary colonizing bacterium whose pili consist of three different pilin subunits that are assembled together by the pilus-specific (C-type) SsaSrtC sortase. Here, we report on the crystal structure determination of the recombinant wild-type and active-site mutant forms of SsaSrtC. Interestingly, the SsaSrtC structure exhibits an open-lid conformation, although a conserved DPX motif is lacking in the lid. Based on molecular docking and structural analysis, we identified the substrate-binding residues essential for pilin recognition and pilus assembly. We also demonstrated that while recombinant SsaSrtC is enzymatically active toward the five-residue LPNTG sorting motif peptide of the pilins, this activity is significantly reduced by the presence of zinc. We further showed that rutin and alpha-crocin are potential candidate inhibitors of the SsaSrtC sortase via structure-based virtual screening and inhibition assays. The structural knowledge gained from our study will provide the means to develop new approaches that target pilus-mediated attachment, thereby preventing oral biofilm growth and infection.

~~Authors~~:

Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation.,Yadav S, Parijat P, Krishnan V Int J Biol Macromol. 2023 Jul 15;243:125183. doi: 10.1016/j.ijbiomac.2023.125183. , Epub 2023 Jun 3. PMID:37276901<ref>PMID:37276901</ref>

~~Description~~:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

[[Category: ~~Unreleased~~ Structures]]

</div>

== References ==

__TOC__

</StructureSection>

[[Category: Large Structures]]

[[Category: Streptococcus sanguinis SK36]]

[[Category: Krishnan V]]

[[Category: Parijat P]]

[[Category: Yadav S]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 8gr6 is ON HOLD  until Paper Publication
+==Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis==
+<StructureSection load='8gr6' size='340' side='right'caption='[[8gr6]], [[Resolution|resolution]] 2.06&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[8gr6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_sanguinis_SK36 Streptococcus sanguinis SK36]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8GR6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GR6 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MHS:N1-METHYLATED+HISTIDINE'>MHS</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8gr6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8gr6 OCA], [https://pdbe.org/8gr6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8gr6 RCSB], [https://www.ebi.ac.uk/pdbsum/8gr6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8gr6 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/A3CPB4_STRSV A3CPB4_STRSV]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Dental plaque is a complex microbial biofilm community of many species and a major cause of oral infections and infectious endocarditis. Plaque development begins when primary colonizers attach to oral tissues and undergo coaggregation. Primary colonizers facilitate cellular attachment and inter-bacterial interactions through sortase-dependent pili (or fimbriae) extending out from their cell surface. Consequently, the sortase enzyme is viewed as a potential drug target for controlling biofilm formation and avoiding infection. Streptococcus sanguinis is a primary colonizing bacterium whose pili consist of three different pilin subunits that are assembled together by the pilus-specific (C-type) SsaSrtC sortase. Here, we report on the crystal structure determination of the recombinant wild-type and active-site mutant forms of SsaSrtC. Interestingly, the SsaSrtC structure exhibits an open-lid conformation, although a conserved DPX motif is lacking in the lid. Based on molecular docking and structural analysis, we identified the substrate-binding residues essential for pilin recognition and pilus assembly. We also demonstrated that while recombinant SsaSrtC is enzymatically active toward the five-residue LPNTG sorting motif peptide of the pilins, this activity is significantly reduced by the presence of zinc. We further showed that rutin and alpha-crocin are potential candidate inhibitors of the SsaSrtC sortase via structure-based virtual screening and inhibition assays. The structural knowledge gained from our study will provide the means to develop new approaches that target pilus-mediated attachment, thereby preventing oral biofilm growth and infection.
-Authors:
+Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation.,Yadav S, Parijat P, Krishnan V Int J Biol Macromol. 2023 Jul 15;243:125183. doi: 10.1016/j.ijbiomac.2023.125183. , Epub 2023 Jun 3. PMID:37276901<ref>PMID:37276901</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 8gr6" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Streptococcus sanguinis SK36]]
+[[Category: Krishnan V]]
+[[Category: Parijat P]]
+[[Category: Yadav S]]