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==Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug==
==Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug==
<StructureSection load='6r1v' size='340' side='right'caption='[[6r1v]], [[NMR_Ensembles_of_Models | 20 NMR models]]' scene=''>
<StructureSection load='6r1v' size='340' side='right'caption='[[6r1v]]' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[6r1v]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R1V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6R1V FirstGlance]. <br>
<table><tr><td colspan='2'>[[6r1v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_NCTC_8325 Staphylococcus aureus subsp. aureus NCTC 8325]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R1V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6R1V FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=JPT:6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one'>JPT</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 20 models</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sortase_A Sortase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.70 3.4.22.70] </span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JPT:6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one'>JPT</scene></td></tr>
<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=6r1v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r1v OCA], [http://pdbe.org/6r1v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6r1v RCSB], [http://www.ebi.ac.uk/pdbsum/6r1v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6r1v 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=6r1v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r1v OCA], [https://pdbe.org/6r1v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r1v RCSB], [https://www.ebi.ac.uk/pdbsum/6r1v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r1v ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/SRTA_STAA8 SRTA_STAA8]] Transpeptidase that anchors surface proteins to the cell wall (PubMed:10427003, PubMed:10446208, PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). Recognizes and modifies its substrate by proteolytic cleavage of a C-terminal sorting signal. Following cleavage, a covalent intermediate is formed via a thioester bond between the sortase and its substrate, which is then transferred and covalently attached to the cell wall (PubMed:10446208, PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). This sortase recognizes a Leu-Pro-x-Thr-Gly (LPXTG) motif, which is cleaved by the sortase between the threonine and glycine residues (PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). Utilizes lipid II as the peptidoglycan substrate for the sorting reaction (PubMed:10446208, PubMed:11856734). Responsible for the display of important virulence factors (PubMed:14769030). Important for interactions with the host and host colonization during infection (PubMed:10805806, PubMed:14769030).<ref>PMID:10427003</ref> <ref>PMID:10446208</ref> <ref>PMID:10535938</ref> <ref>PMID:10805806</ref> <ref>PMID:11714722</ref> <ref>PMID:11856734</ref> <ref>PMID:14769030</ref> <ref>PMID:15247224</ref>
[https://www.uniprot.org/uniprot/SRTA_STAA8 SRTA_STAA8] Transpeptidase that anchors surface proteins to the cell wall (PubMed:10427003, PubMed:10446208, PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). Recognizes and modifies its substrate by proteolytic cleavage of a C-terminal sorting signal. Following cleavage, a covalent intermediate is formed via a thioester bond between the sortase and its substrate, which is then transferred and covalently attached to the cell wall (PubMed:10446208, PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). This sortase recognizes a Leu-Pro-x-Thr-Gly (LPXTG) motif, which is cleaved by the sortase between the threonine and glycine residues (PubMed:10535938, PubMed:11714722, PubMed:14769030, PubMed:15247224). Utilizes lipid II as the peptidoglycan substrate for the sorting reaction (PubMed:10446208, PubMed:11856734). Responsible for the display of important virulence factors (PubMed:14769030). Important for interactions with the host and host colonization during infection (PubMed:10805806, PubMed:14769030).<ref>PMID:10427003</ref> <ref>PMID:10446208</ref> <ref>PMID:10535938</ref> <ref>PMID:10805806</ref> <ref>PMID:11714722</ref> <ref>PMID:11856734</ref> <ref>PMID:14769030</ref> <ref>PMID:15247224</ref>  
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Sortase A]]
[[Category: Staphylococcus aureus subsp. aureus NCTC 8325]]
[[Category: Jaudzems, K]]
[[Category: Jaudzems K]]
[[Category: Leonchiks, A]]
[[Category: Leonchiks A]]
[[Category: Covalent complex]]
[[Category: Hydrolase]]
[[Category: Inhibitor]]
[[Category: Prodrug]]
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