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8twu
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 8twu is ON HOLD Authors: Gering, H.E., Li, X., Tang, H., Swartz, P.D., Chang, W.-C., Makris, T.M. Description: Crystal structure of Cytochrome P450...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro== | |
| + | <StructureSection load='8twu' size='340' side='right'caption='[[8twu]], [[Resolution|resolution]] 1.84Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[8twu]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces Streptomyces]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8TWU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8TWU 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]] 1.84Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=RQB:(3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione'>RQB</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8twu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8twu OCA], [https://pdbe.org/8twu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8twu RCSB], [https://www.ebi.ac.uk/pdbsum/8twu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8twu ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The cytochrome P450 (CYP) AspB is involved in the biosynthesis of the diketopiperazine (DKP) aspergilazine A. Tryptophan-linked dimeric DKP alkaloids are a large family of natural products that are found in numerous species and exhibit broad and often potent bioactivity. The proposed mechanisms for C-N bond formation by AspB, and similar C-C bond formations by related CYPs, have invoked the use of a ferryl-intermediate as an oxidant to promote substrate dimerization. Here, the parallel application of steady-state and transient kinetic approaches reveals a very different mechanism that involves a ferric-superoxide species as a primary oxidant to initiate DKP-assembly. Single turnover kinetic isotope effects and a substrate analog suggest the probable nature and site for abstraction. The direct observation of CYP-superoxide reactivity rationalizes the atypical outcome of AspB and reveals a new reaction manifold in heme enzymes. | ||
| - | + | A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization.,Gering HE, Li X, Tang H, Swartz PD, Chang WC, Makris TM J Am Chem Soc. 2023 Sep 6;145(35):19256-19264. doi: 10.1021/jacs.3c04542. Epub , 2023 Aug 23. PMID:37611404<ref>PMID:37611404</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 8twu" style="background-color:#fffaf0;"></div> |
| - | + | == References == | |
| - | [[Category: Chang | + | <references/> |
| - | [[Category: | + | __TOC__ |
| - | [[Category: Li | + | </StructureSection> |
| - | [[Category: Makris | + | [[Category: Large Structures]] |
| + | [[Category: Streptomyces]] | ||
| + | [[Category: Chang W-C]] | ||
| + | [[Category: Gering HE]] | ||
| + | [[Category: Li X]] | ||
| + | [[Category: Makris TM]] | ||
| + | [[Category: Swartz PD]] | ||
| + | [[Category: Tang H]] | ||
Current revision
Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro
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Categories: Large Structures | Streptomyces | Chang W-C | Gering HE | Li X | Makris TM | Swartz PD | Tang H
