5wl5: Difference between revisions
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<StructureSection load='5wl5' size='340' side='right'caption='[[5wl5]], [[Resolution|resolution]] 1.51Å' scene=''> | <StructureSection load='5wl5' size='340' side='right'caption='[[5wl5]], [[Resolution|resolution]] 1.51Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5wl5]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[5wl5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Unidentified Unidentified]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WL5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WL5 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.513Å</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=5wl5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wl5 OCA], [https://pdbe.org/5wl5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wl5 RCSB], [https://www.ebi.ac.uk/pdbsum/5wl5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wl5 ProSAT]</span></td></tr> | |||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: | [[Category: Unidentified]] | ||
[[Category: Burke | [[Category: Burke JR]] | ||
[[Category: Kaltenbach | [[Category: Kaltenbach M]] | ||
[[Category: Noel | [[Category: Noel JP]] | ||
[[Category: Tawfik | [[Category: Tawfik DS]] | ||
Latest revision as of 17:16, 4 October 2023
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)
Structural highlights
Publication Abstract from PubMedThe emergence of catalysis in a noncatalytic protein scaffold is a rare, unexplored event. Chalcone isomerase (CHI), a key enzyme in plant flavonoid biosynthesis, is presumed to have evolved from a nonenzymatic ancestor related to the widely distributed fatty-acid binding proteins (FAPs) and a plant protein family with no isomerase activity (CHILs). Ancestral inference supported the evolution of CHI from a protein lacking isomerase activity. Further, we identified four alternative founder mutations, i.e., mutations that individually instated activity, including a mutation that is not phylogenetically traceable. Despite strong epistasis in other cases of protein evolution, CHI's laboratory reconstructed mutational trajectory shows weak epistasis. Thus, enantioselective CHI activity could readily emerge despite a catalytically inactive starting point. Accordingly, X-ray crystallography, NMR, and molecular dynamics simulations reveal reshaping of the active site toward a productive substrate-binding mode and repositioning of the catalytic arginine that was inherited from the ancestral fatty-acid binding proteins. Evolution of chalcone isomerase from a noncatalytic ancestor.,Kaltenbach M, Burke JR, Dindo M, Pabis A, Munsberg FS, Rabin A, Kamerlin SCL, Noel JP, Tawfik DS Nat Chem Biol. 2018 Apr 23. pii: 10.1038/s41589-018-0042-3. doi:, 10.1038/s41589-018-0042-3. PMID:29686356[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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