7dmo
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structures of two pericyclases catalyzing [4+2] cycloadditions== | |
| + | <StructureSection load='7dmo' size='340' side='right'caption='[[7dmo]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[7dmo]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Pyrenochaetopsis_sp. Pyrenochaetopsis sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7DMO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7DMO 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]] 2Å</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=7dmo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7dmo OCA], [https://pdbe.org/7dmo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7dmo RCSB], [https://www.ebi.ac.uk/pdbsum/7dmo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7dmo ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/PHM7_PYRSX PHM7_PYRSX] Diels-Alderase; part of the gene cluster that mediates the biosynthesis of the trans-fused decalin-containing tetramic acid phomasetin, the stereochemical opposite of the HIV-1 integrase inhibitor equisetin (PubMed:29972614). The PKS module of phm1 together with the enoylreductase phm4 catalyze the formation of the polyketide unit which is then conjugated to L-serine by the condensation domain of the phm1 NRPS module (PubMed:29972614). Activity of the Dieckmann cyclase domain (RED) of phm1 results in release of the Dieckmann product intermediate (PubMed:29972614). The Diels-Alderase phm7 then uses the Dieckmann product of phm1 as substrate and catalyzes the Diels-Alder cycloaddition to form the decalin ring of N-desmethylphomasetin (PubMed:29972614, PubMed:34121297). N-desmethylphomasetin is further methylated to phomasetin by the methyltransferase phm5 (PubMed:29972614).<ref>PMID:29972614</ref> <ref>PMID:34121297</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Fsa2 and Phm7 are a unique pair of pericyclases catalyzing [4 + 2] cycloaddition reactions with reverse stereoselectivities in the biosynthesis of equisetin and phomasetin, both of which are potent HIV-1 integrase inhibitors. We here solve the crystal structures of Fsa2 and Phm7, both of which possess unusual "two-beta barrel" folds. Different residues are evident between the active sites of Fsa2 and Phm7, and modeling experiments provide key structural information determining the reverse stereoselectivities. These results provide a better understanding of how natural pericyclases control the catalytic stereoselectivities and benefit the protein engineering in future. | ||
| - | + | Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.,Chi C, Wang Z, Liu T, Zhang Z, Zhou H, Li A, Jin H, Jia H, Yin F, Yang D, Ma M ACS Omega. 2021 May 6;6(19):12913-12922. doi: 10.1021/acsomega.1c01593., eCollection 2021 May 18. PMID:34056443<ref>PMID:34056443</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 7dmo" style="background-color:#fffaf0;"></div> |
| - | [[Category: Chi | + | == References == |
| - | [[Category: Ma | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Pyrenochaetopsis sp]] | ||
| + | [[Category: Chi CB]] | ||
| + | [[Category: Ma M]] | ||
| + | [[Category: Wang ZD]] | ||
Current revision
Crystal structures of two pericyclases catalyzing [4+2] cycloadditions
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