8ci0: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[8ci0]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CI0 FirstGlance]. <br> | <table><tr><td colspan='2'>[[8ci0]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CI0 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8EL:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl+phosphono+hydrogen+phosphate'>8EL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TPP:THIAMINE+DIPHOSPHATE'>TPP</scene>, <scene name='pdbligand=UP0:(1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic+acid'>UP0</scene></td></tr> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.902Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8EL:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl+phosphono+hydrogen+phosphate'>8EL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TPP:THIAMINE+DIPHOSPHATE'>TPP</scene>, <scene name='pdbligand=UP0:(1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic+acid'>UP0</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=8ci0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8ci0 OCA], [https://pdbe.org/8ci0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8ci0 RCSB], [https://www.ebi.ac.uk/pdbsum/8ci0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8ci0 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=8ci0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8ci0 OCA], [https://pdbe.org/8ci0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8ci0 RCSB], [https://www.ebi.ac.uk/pdbsum/8ci0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8ci0 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Revision as of 15:52, 26 July 2023
Maize Transketolase in complex with TPP and hydrolyzed (+)-CornexistinMaize Transketolase in complex with TPP and hydrolyzed (+)-Cornexistin
Structural highlights
FunctionPublication Abstract from PubMedWe report the design, synthesis and biological evaluation of simplified analogues of the herbicidal natural product (+)-cornexistin. Guided by an X-Ray co-crystal structure of cornexistin bound to the transketolase enzyme from Zea mays, we attempted to identify the key interactions that are necessary for cornexistin to maintain its herbicidal profile. This resulted in the preparation of three novel analogues investigating the importance of substituents that are located on the nine-membered ring of cornexistin. One analogue maintained a good level of biological activity and could provide researchers insights in how to further optimize the structure of cornexistin for commercialization in the future. Investigations into Simplified Analogues of the Herbicidal Natural Product (+)-Cornexistin.,Steinborn C, Tancredi A, Habiger C, Diederich C, Kramer J, Reingruber A, Laber B, Freigang J, Lange G, Schmutzler D, Machettira A, Besong G, Magauer T, Barber DM Chemistry. 2023 Feb 20:e202300199. doi: 10.1002/chem.202300199. PMID:36807428[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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