View source for 5rpd


==PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F12a==
<StructureSection load='5rpd' size='340' side='right'caption='[[5rpd]], [[Resolution|resolution]] 1.02&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5rpd]] 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=5RPD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5RPD FirstGlance]. <br>
</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>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GGB:L-CANAVANINE'>GGB</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=5rpd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5rpd OCA], [https://pdbe.org/5rpd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5rpd RCSB], [https://www.ebi.ac.uk/pdbsum/5rpd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5rpd ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PRTK_PARAQ PRTK_PARAQ] Hydrolyzes keratin at aromatic and hydrophobic residues.
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== 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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 5rpd" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Parengyodontium album]]
[[Category: Benz LS]]
[[Category: Jagudin E]]
[[Category: Lima GMA]]
[[Category: Mueller U]]
[[Category: Talibov V]]