6j88

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'''Unreleased structure'''
 
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The entry 6j88 is ON HOLD
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==Crystal structure of HinD with benzo[b]thiophen analog==
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<StructureSection load='6j88' size='340' side='right'caption='[[6j88]], [[Resolution|resolution]] 2.35&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[6j88]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptoalloteichus_hindustanus Streptoalloteichus hindustanus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6J88 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6J88 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.35&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B9O:N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide'>B9O</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6j88 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6j88 OCA], [https://pdbe.org/6j88 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6j88 RCSB], [https://www.ebi.ac.uk/pdbsum/6j88 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6j88 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/A0A1M4Y7D5_STRHI A0A1M4Y7D5_STRHI]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The catalytic versatility of cytochrome P450 monooxygenases is remarkable. Here, we present mechanistic and structural characterizations of TleB from Streptomyces blastmyceticus and its homolog HinD from Streptoalloteichus hindustanus, which catalyze unusual intramolecular C-N bond formation to generate indolactam V from the dipeptide N-methylvalyl-tryptophanol. In vitro analyses demonstrated that both P450s exhibit promiscuous substrate specificity, and modification of the N13-methyl group resulted in the formation of indole-fused 6/5/6 tricyclic products. Furthermore, X-ray crystal structures in complex with substrates and structure-based mutagenesis revealed the intimate structural details of the enzyme reactions. We propose that the generation of a diradical species is critical for the indolactam formation, and that the intramolecular C(sp(2))-H amination is initiated by the abstraction of the N1 indole hydrogen. After indole radical repositioning and subsequent removal of the N13 hydrogen, the coupling of the properly-folded diradical leads to the formation of the C4-N13 bond of indolactam.
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Authors: Fei, H., Mori, T., Abe, I.
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Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.,He F, Mori T, Morita I, Nakamura H, Alblova M, Hoshino S, Awakawa T, Abe I Nat Chem Biol. 2019 Dec;15(12):1206-1213. doi: 10.1038/s41589-019-0380-9. Epub , 2019 Oct 21. PMID:31636430<ref>PMID:31636430</ref>
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Description: Crystal structure of HinD with benzo[b]thiophen analog
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Mori, T]]
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<div class="pdbe-citations 6j88" style="background-color:#fffaf0;"></div>
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[[Category: Abe, I]]
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== References ==
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[[Category: Fei, H]]
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Streptoalloteichus hindustanus]]
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[[Category: Abe I]]
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[[Category: Fei H]]
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[[Category: Mori T]]

Current revision

Crystal structure of HinD with benzo[b]thiophen analog

PDB ID 6j88

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