6yrs
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 6yrs is ON HOLD until Paper Publication Authors: Gavira, J.A., Risso, V., Martinez-Rodriguez, S., Sanchez-Ruiz, J.M., Modi, T., Ozkan, S.B. Descrip...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure of a new variant of GNCA ancestral beta-lactamase== | |
| + | <StructureSection load='6yrs' size='340' side='right'caption='[[6yrs]], [[Resolution|resolution]] 1.70Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6yrs]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YRS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YRS 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]] 1.7Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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=6yrs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yrs OCA], [https://pdbe.org/6yrs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yrs RCSB], [https://www.ebi.ac.uk/pdbsum/6yrs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yrs ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | TEM-1 beta-lactamase degrades beta-lactam antibiotics with a strong preference for penicillins. Sequence reconstruction studies indicate that it evolved from ancestral enzymes that degraded a variety of beta-lactam antibiotics with moderate efficiency. This generalist to specialist conversion involved more than 100 mutational changes, but conserved fold and catalytic residues, suggesting a role for dynamics in enzyme evolution. Here, we develop a conformational dynamics computational approach to rationally mold a protein flexibility profile on the basis of a hinge-shift mechanism. By deliberately weighting and altering the conformational dynamics of a putative Precambrian beta-lactamase, we engineer enzyme specificity that mimics the modern TEM-1 beta-lactamase with only 21 amino acid replacements. Our conformational dynamics design thus re-enacts the evolutionary process and provides a rational allosteric approach for manipulating function while conserving the enzyme active site. | ||
| - | + | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity.,Modi T, Risso VA, Martinez-Rodriguez S, Gavira JA, Mebrat MD, Van Horn WD, Sanchez-Ruiz JM, Banu Ozkan S Nat Commun. 2021 Mar 25;12(1):1852. doi: 10.1038/s41467-021-22089-0. PMID:33767175<ref>PMID:33767175</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6yrs" style="background-color:#fffaf0;"></div> |
| - | [[Category: Martinez-Rodriguez | + | |
| - | [[Category: | + | ==See Also== |
| - | [[Category: Ozkan | + | *[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]] |
| - | [[Category: Risso | + | == References == |
| - | [[Category: | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Synthetic construct]] | ||
| + | [[Category: Gavira JA]] | ||
| + | [[Category: Martinez-Rodriguez S]] | ||
| + | [[Category: Modi T]] | ||
| + | [[Category: Ozkan SB]] | ||
| + | [[Category: Risso V]] | ||
| + | [[Category: Sanchez-Ruiz JM]] | ||
Current revision
Structure of a new variant of GNCA ancestral beta-lactamase
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