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1qx6

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[[Image:1qx6.jpg|left|200px]]
 
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{{Structure
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==Crystal structure of Sortase B complexed with E-64==
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|PDB= 1qx6 |SIZE=350|CAPTION= <scene name='initialview01'>1qx6</scene>, resolution 2.70&Aring;
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<StructureSection load='1qx6' size='340' side='right'caption='[[1qx6]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=E64:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE'>E64</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>
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<table><tr><td colspan='2'>[[1qx6]] 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=1QX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QX6 FirstGlance]. <br>
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|ACTIVITY=
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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]] 2.7&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E64:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE'>E64</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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|DOMAIN=
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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=1qx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qx6 OCA], [https://pdbe.org/1qx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qx6 RCSB], [https://www.ebi.ac.uk/pdbsum/1qx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qx6 ProSAT]</span></td></tr>
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|RELATEDENTRY=[[1qwz|1QWZ]], [[1qxa|1QXA]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qx6 OCA], [http://www.ebi.ac.uk/pdbsum/1qx6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1qx6 RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/SRTB_STAA8 SRTB_STAA8] Transpeptidase that anchors surface proteins to the cell wall (PubMed:11830639, PubMed:15718231, PubMed:24519933) (Probable). 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>
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== Evolutionary Conservation ==
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'''Crystal structure of Sortase B complexed with E-64'''
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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==Overview==
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qx/1qx6_consurf.spt"</scriptWhenChecked>
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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.
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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==About this Structure==
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</jmolCheckbox>
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1QX6 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QX6 OCA].
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1qx6 ConSurf].
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<div style="clear:both"></div>
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==Reference==
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== References ==
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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:[http://www.ncbi.nlm.nih.gov/pubmed/14725770 14725770]
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<references/>
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[[Category: Single protein]]
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Staphylococcus aureus]]
[[Category: Staphylococcus aureus]]
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[[Category: Mazmanian, S K.]]
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[[Category: Mazmanian SK]]
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[[Category: Narayana, S V.]]
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[[Category: Narayana SV]]
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[[Category: Schneewind, O.]]
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[[Category: Schneewind O]]
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[[Category: Zong, Y.]]
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[[Category: Zong Y]]
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[[Category: cysteine protease]]
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[[Category: e-64]]
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[[Category: sortase]]
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[[Category: transpeptidase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:20:17 2008''
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Current revision

Crystal structure of Sortase B complexed with E-64

PDB ID 1qx6

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