5r1a: Difference between revisions
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==PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 25, DMSO-free== | ==PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 25, DMSO-free== | ||
<StructureSection load='5r1a' size='340' side='right'caption='[[5r1a]]' scene=''> | <StructureSection load='5r1a' size='340' side='right'caption='[[5r1a]], [[Resolution|resolution]] 1.73Å' 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=5R1A OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5R1A FirstGlance]. <br> | <table><tr><td colspan='2'>[[5r1a]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Baker's_yeast Baker's yeast]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5R1A OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5R1A FirstGlance]. <br> | ||
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5r1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5r1a OCA], [http://pdbe.org/5r1a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5r1a RCSB], [http://www.ebi.ac.uk/pdbsum/5r1a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5r1a ProSAT]</span></td></tr> | </td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PRP8, DBF3, DNA39, RNA8, SLT21, USA2, YHR165C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=559292 Baker's yeast]), AAR2, YBL074C, YBL06.06, YBL0611 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=559292 Baker's yeast])</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5r1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5r1a OCA], [http://pdbe.org/5r1a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5r1a RCSB], [http://www.ebi.ac.uk/pdbsum/5r1a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5r1a ProSAT]</span></td></tr> | |||
</table> | </table> | ||
== Function == | |||
[[http://www.uniprot.org/uniprot/PRP8_YEAST PRP8_YEAST]] Required for pre-spliceosome formation, which is the first step of pre-mRNA splicing. This protein is associated with snRNP U5. Has a role in branch site-3' splice site selection. Associates with the branch site-3' splice 3'-exon region. Also has a role in cell cycle.<ref>PMID:2835658</ref> <ref>PMID:9150140</ref> <ref>PMID:12773561</ref> <ref>PMID:18779563</ref> [[http://www.uniprot.org/uniprot/AAR2_YEAST AAR2_YEAST]] Involved in splicing pre-mRNA of the A1 cistron and other genes that are important for cell growth. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Crystallographic fragment screening (CFS) provides excellent starting points for projects concerned with drug discovery or biochemical tool compound development. One of the fundamental prerequisites for effective CFS is the availability of a versatile fragment library. Here, we report on the assembly of the 1,103-compound F2X-Universal Library and its 96-compound sub-selection, the F2X-Entry Screen. Both represent the available fragment chemistry and are highly diverse in terms of their 3D-pharmacophore variations. Validation of the F2X-Entry Screen in CFS campaigns using endothiapepsin and the Aar2/RNaseH complex yielded hit rates of 30% and 21%, respectively, and revealed versatile binding sites. Dry presentation of the libraries allows CFS campaigns to be carried out with or without the co-solvent DMSO present. Most of the hits in our validation campaigns could be reproduced also in the absence of DMSO. Consequently, CFS can be carried out more efficiently and for a wider range of conditions and targets. | |||
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.,Wollenhaupt J, Metz A, Barthel T, Lima GMA, Heine A, Mueller U, Klebe G, Weiss MS Structure. 2020 Jun 2;28(6):694-706.e5. doi: 10.1016/j.str.2020.04.019. Epub 2020, May 14. PMID:32413289<ref>PMID:32413289</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 5r1a" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Baker's yeast]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: | [[Category: Barthel, T]] | ||
[[Category: Heine, A]] | |||
[[Category: Klebe, G]] | |||
[[Category: Lima, G M.A]] | |||
[[Category: Metz, A]] | |||
[[Category: Mueller, U]] | |||
[[Category: Weiss, M S]] | |||
[[Category: Wollenhaupt, J]] | |||
[[Category: Fragmax]] | |||
[[Category: Fragmaxapp]] | |||
[[Category: Fragment screening]] | |||
[[Category: Rnaseh like domain]] | |||
[[Category: Splicing]] | |||
[[Category: U5 snrnp assembly]] | |||
[[Category: Vhs like domain]] | |||