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==PanDDA analysis group deposition -- Proteinase K crystal structure Apo64== | ==PanDDA analysis group deposition -- Proteinase K crystal structure Apo64== | ||
<StructureSection load='5rpn' size='340' side='right'caption='[[5rpn]]' scene=''> | <StructureSection load='5rpn' size='340' side='right'caption='[[5rpn]], [[Resolution|resolution]] 1.02Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5RPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5RPN FirstGlance]. <br> | <table><tr><td colspan='2'>[[5rpn]] 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=5RPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5RPN FirstGlance]. <br> | ||
</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=5rpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rpn OCA], [https://pdbe.org/5rpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rpn RCSB], [https://www.ebi.ac.uk/pdbsum/5rpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rpn ProSAT]</span></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<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> | |||
<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> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5rpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rpn OCA], [https://pdbe.org/5rpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rpn RCSB], [https://www.ebi.ac.uk/pdbsum/5rpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rpn ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ]] Hydrolyzes keratin at aromatic and hydrophobic residues. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 5rpn" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Beauveria alba]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Benz | [[Category: Peptidase K]] | ||
[[Category: Jagudin E]] | [[Category: Benz, L S]] | ||
[[Category: Lima | [[Category: Jagudin, E]] | ||
[[Category: Mueller U]] | [[Category: Lima, G M.A]] | ||
[[Category: Talibov V]] | [[Category: Mueller, U]] | ||
[[Category: Talibov, V]] | |||
[[Category: Fragmax]] | |||
[[Category: Fragmaxapp]] | |||
[[Category: Fragment screening]] | |||
[[Category: Hydrolase]] | |||
[[Category: Inhibition]] | |||
Revision as of 10:38, 25 June 2021
PanDDA analysis group deposition -- Proteinase K crystal structure Apo64PanDDA analysis group deposition -- Proteinase K crystal structure Apo64
Structural highlights
Function[PRTK_PARAQ] Hydrolyzes keratin at aromatic and hydrophobic residues. Publication Abstract from PubMedCrystallographic 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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