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5roq

From Proteopedia

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Current revision (13:52, 1 March 2024) (edit) (undo)
 
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<StructureSection load='5roq' size='340' side='right'caption='[[5roq]], [[Resolution|resolution]] 1.02&Aring;' scene=''>
<StructureSection load='5roq' size='340' side='right'caption='[[5roq]], [[Resolution|resolution]] 1.02&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5roq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Beauveria_alba Beauveria alba]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5roq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Parengyodontium_album Parengyodontium album]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ROQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ROQ FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=47E:(2R)-(3-CHLOROPHENYL)(HYDROXY)ETHANOIC+ACID'>47E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.02&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PROK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=37998 Beauveria alba])</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=47E:(2R)-(3-CHLOROPHENYL)(HYDROXY)ETHANOIC+ACID'>47E</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Peptidase_K Peptidase K], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.64 3.4.21.64] </span></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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq 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=5roq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5roq OCA], [https://pdbe.org/5roq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5roq RCSB], [https://www.ebi.ac.uk/pdbsum/5roq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5roq ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ]] Hydrolyzes keratin at aromatic and hydrophobic residues.
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[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ] Hydrolyzes keratin at aromatic and hydrophobic residues.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Crystallographic fragment screening (CFS) has become one of the major techniques for screening compounds in the early stages of drug-discovery projects. Following the advances in automation and throughput at modern macromolecular crystallography beamlines, the bottleneck for CFS has shifted from collecting data to organizing and handling the analysis of such projects. The complexity that emerges from the use of multiple methods for processing and refinement and to search for ligands requires an equally sophisticated solution to summarize the output, allowing researchers to focus on the scientific questions instead of on software technicalities. FragMAXapp is the fragment-screening project-management tool designed to handle CFS projects at MAX IV Laboratory. It benefits from the powerful computing infrastructure of large-scale facilities and, as a web application, it is accessible from everywhere.
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FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.,Lima GMA, Jagudin E, Talibov VO, Benz LS, Marullo C, Barthel T, Wollenhaupt J, Weiss MS, Mueller U Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):799-808. doi:, 10.1107/S2059798321003818. Epub 2021 May 14. PMID:34076593<ref>PMID:34076593</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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<div class="pdbe-citations 5roq" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Beauveria alba]]
 
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Peptidase K]]
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[[Category: Parengyodontium album]]
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[[Category: Benz, L S]]
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[[Category: Benz LS]]
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[[Category: Jagudin, E]]
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[[Category: Jagudin E]]
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[[Category: Lima, G M.A]]
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[[Category: Lima GMA]]
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[[Category: Mueller, U]]
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[[Category: Mueller U]]
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[[Category: Talibov, V]]
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[[Category: Talibov V]]
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[[Category: Fragmax]]
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[[Category: Fragmaxapp]]
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[[Category: Fragment screening]]
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[[Category: Hydrolase]]
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[[Category: Inhibition]]
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Current revision

PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a

PDB ID 5roq

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