8ws4
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of the CYP199A4 mutant F182A in complex with 4-methoxybenzoic acid== | |
| + | <StructureSection load='8ws4' size='340' side='right'caption='[[8ws4]], [[Resolution|resolution]] 1.53Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[8ws4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodopseudomonas_palustris_HaA2 Rhodopseudomonas palustris HaA2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8WS4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8WS4 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]] 1.53Å</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=ANN:4-METHOXYBENZOIC+ACID'>ANN</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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=8ws4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8ws4 OCA], [https://pdbe.org/8ws4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8ws4 RCSB], [https://www.ebi.ac.uk/pdbsum/8ws4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8ws4 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | P450-catalyzed O-demethylation reactions have recently attracted particular attention because of their potential applications in lignin bioconversion. We recently enabled the peroxygenase activity of CYP199A4, a NADH-dependent cytochrome P450 monooxygenase from Rhodopseudomonas palustris, by engineering a hydrogen peroxide (H(2)O(2)) tunnel. In this report, we reveal by crystallography and molecule dynamics simulations that key residues located at one of the water tunnels in CYP199A4 play a crucial gating role, which enhances the peroxygenase activity by regulating the inflow of H(2)O(2). These results provide a more complete understanding of the mechanism by which monooxygenase is converted into peroxygenase activity through the H(2)O(2) tunnel engineering (HTE) strategy. Furthermore, a library of engineered CYP199A4 peroxygenases was constructed to explore their application potentials for O-demethylation of various methoxy-substituted benzoic acid derivatives. The engineered CYP199A4 peroxygenases showed good functional group tolerance and preferential O-demethylation at the meta- or para-position, indicating potential O-demethylation of H- and G-type lignin monomers. This work reveals the feasibility of the HTE strategy in creating P450 peroxygenase from a mechanistic perspective, laying the foundation for developing an effective P450 O-demethylase applicable in lignin bioconversion. | ||
| - | + | Crucial gating residues govern the enhancement of peroxygenase activity in an engineered cytochrome P450 O-demethylase.,Zhao P, Jiang Y, Wang Q, Chen J, Yao F, Cong Z Chem Sci. 2024 May 3;15(21):8062-8070. doi: 10.1039/d4sc02418d. eCollection 2024 , May 29. PMID:38817576<ref>PMID:38817576</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 8ws4" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Rhodopseudomonas palustris HaA2]] | ||
| + | [[Category: Cong Z]] | ||
| + | [[Category: Jiang Y]] | ||
Current revision
Crystal structure of the CYP199A4 mutant F182A in complex with 4-methoxybenzoic acid
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