1qwz

From Proteopedia

(Difference between revisions)

Current revision

Crystal structure of Sortase B from S. aureus complexed with MTSET

Structural highlights

1qwz is a 1 chain structure with sequence from Staphylococcus aureus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.75Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

SRTB_STAA8 Transpeptidase that anchors surface proteins to the cell wall (Probable) (PubMed:11830639, PubMed:15718231, PubMed:24519933). 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 (Probable) (PubMed:24519933). This sortase recognizes an Asn-Pro-Gln-Thr-Asn (NPQTN) motif in IsdC, which is cleaved by the sortase between the threonine and aspargine residues; may only have 1 substrate in this bacterium (Probable). May be dedicated to the process of iron acquisition during bacterial infection (Probable).^[1] ^[2] ^[3] ^[4] ^[5] ^[6]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

Many surface proteins of Gram-positive bacteria, which play important roles during the pathogenesis of human infections, are anchored to the cell wall envelope by a mechanism requiring sortases. Sortase B, a cysteine transpeptidase from Staphylococcus aureus, cleaves the C-terminal sorting signal of IsdC at the NPQTN motif and tethers the polypeptide to the pentaglycine cell wall cross-bridge. During catalysis, the active site cysteine of sortase and the cleaved substrate form an acyl intermediate, which is then resolved by the amino group of pentaglycine cross-bridges. We report here the crystal structures of SrtBDeltaN30 in complex with two active site inhibitors, MTSET and E64, and with the cell wall substrate analog tripleglycine. These structures reveal, for the first time, the active site disposition and the unique Cys-Arg catalytic machinery of the cysteine transpeptidase, and they also provide useful information for the future design of anti-infective agents against sortases.

The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall.,Zong Y, Mazmanian SK, Schneewind O, Narayana SV Structure. 2004 Jan;12(1):105-12. PMID:14725770^[7]

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

References

↑ Mazmanian SK, Ton-That H, Su K, Schneewind O. An iron-regulated sortase anchors a class of surface protein during Staphylococcus aureus pathogenesis. Proc Natl Acad Sci U S A. 2002 Feb 19;99(4):2293-8. PMID:11830639 doi:10.1073/pnas.032523999
↑ Marraffini LA, Schneewind O. Anchor structure of staphylococcal surface proteins. V. Anchor structure of the sortase B substrate IsdC. J Biol Chem. 2005 Apr 22;280(16):16263-71. PMID:15718231 doi:10.1074/jbc.M500071200
↑ Jacobitz AW, Wereszczynski J, Yi SW, Amer BR, Huang GL, Nguyen AV, Sawaya MR, Jung ME, McCammon JA, Clubb RT. Structural and computational studies of the Staphylococcus aureus Sortase B-substrate complex reveal a substrate-stabilized oxyanion hole. J Biol Chem. 2014 Feb 11. PMID:24519933 doi:http://dx.doi.org/10.1074/jbc.M113.509273
↑ Mazmanian SK, Ton-That H, Su K, Schneewind O. An iron-regulated sortase anchors a class of surface protein during Staphylococcus aureus pathogenesis. Proc Natl Acad Sci U S A. 2002 Feb 19;99(4):2293-8. PMID:11830639 doi:10.1073/pnas.032523999
↑ Marraffini LA, Schneewind O. Anchor structure of staphylococcal surface proteins. V. Anchor structure of the sortase B substrate IsdC. J Biol Chem. 2005 Apr 22;280(16):16263-71. PMID:15718231 doi:10.1074/jbc.M500071200
↑ Wang G, Wang X, Sun L, Gao Y, Niu X, Wang H. Novel Inhibitor Discovery of Staphylococcus aureus Sortase B and the Mechanism Confirmation via Molecular Modeling. Molecules. 2018 Apr 23;23(4):977. PMID:29690584 doi:10.3390/molecules23040977
↑ Zong Y, Mazmanian SK, Schneewind O, Narayana SV. The structure of sortase B, a cysteine transpeptidase that tethers surface protein to the Staphylococcus aureus cell wall. Structure. 2004 Jan;12(1):105-12. PMID:14725770

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1qwz"

@@ Line 3: / Line 3: @@
 <StructureSection load='1qwz' size='340' side='right'caption='[[1qwz]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1qwz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QWZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QWZ FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1qwz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QWZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QWZ FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ETM:2-(TRIMETHYLAMMONIUM)ETHYL+THIOL'>ETM</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</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]] 1.75&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1qx6|1qx6]], [[1qxa|1qxa]]</div></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ETM:2-(TRIMETHYLAMMONIUM)ETHYL+THIOL'>ETM</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</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=1qwz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qwz OCA], [https://pdbe.org/1qwz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qwz RCSB], [https://www.ebi.ac.uk/pdbsum/1qwz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qwz ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/SRTB_STAA8 SRTB_STAA8] Transpeptidase that anchors surface proteins to the cell wall (Probable) (PubMed:11830639, PubMed:15718231, PubMed:24519933). 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 (Probable) (PubMed:24519933). This sortase recognizes an Asn-Pro-Gln-Thr-Asn (NPQTN) motif in IsdC, which is cleaved by the sortase between the threonine and aspargine residues; may only have 1 substrate in this bacterium (Probable). May be dedicated to the process of iron acquisition during bacterial infection (Probable).<ref>PMID:11830639</ref> <ref>PMID:15718231</ref> <ref>PMID:24519933</ref> <ref>PMID:11830639</ref> <ref>PMID:15718231</ref> <ref>PMID:29690584</ref>
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
@@ Line 13: / Line 15: @@
   <jmolCheckbox>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qw/1qwz_consurf.spt"</scriptWhenChecked>
-    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
   </jmolCheckbox>
@@ Line 32: / Line 34: @@
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Mazmanian, S K]]
+[[Category: Staphylococcus aureus]]
-[[Category: Narayana, S V]]
+[[Category: Mazmanian SK]]
-[[Category: Schneewind, O]]
+[[Category: Narayana SV]]
-[[Category: Zong, Y]]
+[[Category: Schneewind O]]
-[[Category: Beta barrel]]
+[[Category: Zong Y]]
-[[Category: Hydrolase]]
-[[Category: Transpeptidase]]

1qwz

From Proteopedia

Current revision

Crystal structure of Sortase B from S. aureus complexed with MTSET

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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