5cxr
From Proteopedia
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==Influenza endonuclease complexed with 4-bromopyrazole== | ==Influenza endonuclease complexed with 4-bromopyrazole== | ||
<StructureSection load='5cxr' size='340' side='right' caption='[[5cxr]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='5cxr' size='340' side='right' caption='[[5cxr]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5cxr]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CXR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CXR FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5cxr]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/california/02/2010(h1n1)) Influenza a virus (a/california/02/2010(h1n1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CXR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CXR FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BYZ:4-BROMO-1H-PYRAZOLE'>BYZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BYZ:4-BROMO-1H-PYRAZOLE'>BYZ</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4m5q|4m5q]], [[5cw1|5cw1]], [[5cym|5cym]], [[5cyq|5cyq]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4m5q|4m5q]], [[5cw1|5cw1]], [[5cym|5cym]], [[5cyq|5cyq]]</td></tr> | ||
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5cxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cxr OCA], [http://pdbe.org/5cxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cxr RCSB], [http://www.ebi.ac.uk/pdbsum/5cxr PDBsum]</span></td></tr> | + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1305075 Influenza A virus (A/California/02/2010(H1N1))])</td></tr> |
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5cxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cxr OCA], [http://pdbe.org/5cxr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cxr RCSB], [http://www.ebi.ac.uk/pdbsum/5cxr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5cxr ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Through X-ray crystallographic fragment screening, 4-bromopyrazole was discovered to be a 'magic bullet' that is capable of binding at many of the ligand 'hot spots' found in HIV-1 reverse transcriptase (RT). The binding locations can be in pockets that are 'hidden' in the unliganded crystal form, allowing rapid identification of these sites for in silico screening. In addition to hot-spot identification, this ubiquitous yet specific binding provides an avenue for X-ray crystallographic phase determination, which can be a significant bottleneck in the determination of the structures of novel proteins. The anomalous signal from 4-bromopyrazole or 4-iodopyrazole was sufficient to determine the structures of three proteins (HIV-1 RT, influenza A endonuclease and proteinase K) by single-wavelength anomalous dispersion (SAD) from single crystals. Both compounds are inexpensive, readily available, safe and very soluble in DMSO or water, allowing efficient soaking into crystals. | ||
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| + | Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.,Bauman JD, Harrison JJ, Arnold E IUCrJ. 2016 Jan 1;3(Pt 1):51-60. doi: 10.1107/S2052252515021259. eCollection 2016, Jan 1. PMID:26870381<ref>PMID:26870381</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5cxr" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
Revision as of 06:18, 18 April 2018
Influenza endonuclease complexed with 4-bromopyrazole
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