View source for 9vzr


==MG8, a PET hydrolase enzyme from the human saliva metagenome==
<StructureSection load='9vzr' size='340' side='right'caption='[[9vzr]], [[Resolution|resolution]] 1.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9vzr]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_sp. Pseudomonas sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9VZR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9VZR 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]] 1.2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=9vzr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9vzr OCA], [https://pdbe.org/9vzr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9vzr RCSB], [https://www.ebi.ac.uk/pdbsum/9vzr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9vzr ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
Recent advances in biocatalytic recycling of polyethylene terephthalate (PET) using PET hydrolase enzymes have sparked interest in integrating PET degradation capabilities into living systems. Although cell-based strategies are limited by the mesophilic temperature constraints of microbial hosts, they offer a unique opportunity to couple PET depolymerization with biological upcycling into value-added chemicals. Here, a comprehensive approach for the cellular degradation and valorization of PET is reported. The crystal structure of MG8, a PET hydrolase identified from the human saliva metagenome is solved, and molecular dynamics simulations are used to pinpoint loop regions for targeted mutagenesis aimed at enhancing activity under moderate temperatures. Over 1000 MG8 loop variants are evaluated with a high-throughput mass spectrometric screening platform. Two catalytically improved mutants-MG8(G127Y/F250A) and MG8(N125S/G127Y/F250A)-exhibit significantly enhanced PET hydrolysis at 37 degrees C. To enable whole-cell PET valorization, a two-strain Escherichia coli system called PETCAT is constructed: one strain is engineered to secrete MG8(G127Y/F250A) for PET degradation, and the other harbors a synthetic pathway comprising seven heterologous genes for the conversion of terephthalic acid (TPA) into catechol, a versatile intermediate used in pharmaceuticals and fragrances. This study establishes a modular, one-pot microbial platform for PET recycling and upcycling under physiologically relevant conditions.

Cellular Upcycling of Polyethylene Terephthalate (PET) With an Engineered Human Saliva Metagenomic PET Hydrolase.,Amornloetwattana R, Eiamthong B, Meesawat P, Bunkum P, Royer B, Zeballos N, Valenzuela-Ortega M, Robinson RC, Wallace S, Uttamapinant C ChemSusChem. 2026 Jan;19(1):e202502560. doi: 10.1002/cssc.202502560. Epub 2025 , Dec 8. PMID:41358536<ref>PMID:41358536</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 9vzr" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas sp]]
[[Category: Amornloetwattana R]]
[[Category: Meesawat P]]
[[Category: Robinson CR]]
[[Category: Uttamapinant C]]