4nec

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<StructureSection load='4nec' size='340' side='right'caption='[[4nec]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
<StructureSection load='4nec' size='340' side='right'caption='[[4nec]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4nec]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NEC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NEC FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4nec]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_echinatus Streptomyces echinatus] and [https://en.wikipedia.org/wiki/Streptomyces_lasalocidi Streptomyces lasalocidi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NEC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NEC FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=15P:POLYETHYLENE+GLYCOL+(N=34)'>15P</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=QUI:2-CARBOXYQUINOXALINE'>QUI</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
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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]] 1.5&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=MVA:N-METHYLVALINE'>MVA</scene>, <scene name='pdbligand=N2C:N,S-DIMETHYLCYSTEINE'>N2C</scene>, <scene name='pdbligand=NCY:N-METHYLCYSTEINE'>NCY</scene></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=15P:POLYETHYLENE+GLYCOL+(N=34)'>15P</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=MVA:N-METHYLVALINE'>MVA</scene>, <scene name='pdbligand=N2C:N,S-DIMETHYLCYSTEINE'>N2C</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NCY:N-METHYLCYSTEINE'>NCY</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=QUI:2-CARBOXYQUINOXALINE'>QUI</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</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=4nec FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nec OCA], [https://pdbe.org/4nec PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nec RCSB], [https://www.ebi.ac.uk/pdbsum/4nec PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nec ProSAT]</span></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=4nec FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nec OCA], [https://pdbe.org/4nec PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nec RCSB], [https://www.ebi.ac.uk/pdbsum/4nec PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nec ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/Q0X0A7_STRLS Q0X0A7_STRLS]
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Echinomycin is a nonribosomal depsipeptide natural product with a range of interesting bioactivities that make it an important target for drug discovery and development. It contains a thioacetal bridge, a unique chemical motif derived from the disulfide bond of its precursor antibiotic triostin A by the action of an S-adenosyl-L-methionine-dependent methyltransferase, Ecm18. The crystal structure of Ecm18 in complex with its reaction products S-adenosyl-L-homocysteine and echinomycin was determined at 1.50 A resolution. Phasing was achieved using a new molecular replacement package called AMPLE, which automatically derives search models from structure predictions based on ab initio protein modelling. Structural analysis indicates that a combination of proximity effects, medium effects, and catalysis by strain drives the unique transformation of the disulfide bond into the thioacetal linkage.
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Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis.,Hotta K, Keegan RM, Ranganathan S, Fang M, Bibby J, Winn MD, Sato M, Lian M, Watanabe K, Rigden DJ, Kim CY Angew Chem Int Ed Engl. 2013 Dec 2. doi: 10.1002/anie.201307404. PMID:24302672<ref>PMID:24302672</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4nec" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Bibby, J]]
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[[Category: Streptomyces echinatus]]
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[[Category: Fang, M]]
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[[Category: Streptomyces lasalocidi]]
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[[Category: Hotta, K]]
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[[Category: Bibby J]]
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[[Category: Keegan, R M]]
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[[Category: Fang M]]
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[[Category: Kim, C Y]]
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[[Category: Hotta K]]
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[[Category: Lian, M]]
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[[Category: Keegan RM]]
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[[Category: Ranganathan, S]]
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[[Category: Kim C-Y]]
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[[Category: Rigden, D J]]
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[[Category: Lian M]]
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[[Category: Sato, M]]
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[[Category: Ranganathan S]]
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[[Category: Watanabe, K]]
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[[Category: Rigden DJ]]
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[[Category: Winn, M D]]
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[[Category: Sato M]]
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[[Category: Methyltransferase]]
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[[Category: Watanabe K]]
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[[Category: Sam-dependent methyltransferase]]
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[[Category: Winn MD]]
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[[Category: Transferase-antibiotic complex]]
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Current revision

Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis

PDB ID 4nec

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