5elw: Difference between revisions
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<StructureSection load='5elw' size='340' side='right'caption='[[5elw]], [[Resolution|resolution]] 1.40Å' scene=''> | <StructureSection load='5elw' size='340' side='right'caption='[[5elw]], [[Resolution|resolution]] 1.40Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5elw]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[5elw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Arabidopsis_thaliana Arabidopsis thaliana]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ELW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ELW FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5LD:[(2R)-2-HYDROXY-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]PHOSPHONIC+ACID'>5LD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.4Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5LD:[(2R)-2-HYDROXY-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]PHOSPHONIC+ACID'>5LD</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</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=5elw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5elw OCA], [https://pdbe.org/5elw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5elw RCSB], [https://www.ebi.ac.uk/pdbsum/5elw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5elw ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/HIS5B_ARATH HIS5B_ARATH] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 22: | Line 23: | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Arabidopsis thaliana]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Baker | [[Category: Baker PJ]] | ||
[[Category: Bisson | [[Category: Bisson C]] | ||
[[Category: Britton | [[Category: Britton KL]] | ||
[[Category: Eadsforth | [[Category: Eadsforth TC]] | ||
[[Category: Hawkes | [[Category: Hawkes TR]] | ||
[[Category: Rice | [[Category: Rice DW]] | ||
[[Category: Rodgers | [[Category: Rodgers HF]] | ||
[[Category: Sedelnikova | [[Category: Sedelnikova SE]] | ||
[[Category: Viner | [[Category: Viner RC]] | ||
Latest revision as of 09:33, 5 July 2023
A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolutionA. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution
Structural highlights
FunctionPublication Abstract from PubMedPrograms of drug discovery generally exploit one enantiomer of a chiral compound for lead development following the principle that enantiomer recognition is central to biological specificity. However, chiral promiscuity has been identified for a number of enzyme families, which have shown that mirror-image packing can enable opposite enantiomers to be accommodated in an enzyme's active site. Reported here is a series of crystallographic studies of complexes between an enzyme and a potent experimental herbicide whose chiral center forms an essential part of the inhibitor pharmacophore. Initial studies with a racemate at 1.85 A resolution failed to identify the chirality of the bound inhibitor, however, by extending the resolution to 1.1 A and by analyzing high-resolution complexes with the enantiopure compounds, we determined that both enantiomers make equivalent pseudosymmetric interactions in the active site, thus mimicking an achiral reaction intermediate. Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.,Bisson C, Britton KL, Sedelnikova SE, Rodgers HF, Eadsforth TC, Viner RC, Hawkes TR, Baker PJ, Rice DW Angew Chem Int Ed Engl. 2016 Oct 17;55(43):13485-13489. doi:, 10.1002/anie.201607185. Epub 2016 Sep 26. PMID:27717128[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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