3cwb: Difference between revisions
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New page: '''Unreleased structure''' The entry 3cwb is ON HOLD Authors: HUANG, L., Cromartie, T., Viner, R., Crowley, P.J., Berry, E.A. Description: CHICKEN CYTOCHROME BC1 COMPLEX inhibited by a... |
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==Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D== | |||
<StructureSection load='3cwb' size='340' side='right'caption='[[3cwb]], [[Resolution|resolution]] 3.51Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3cwb]] is a 20 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CWB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3CWB 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]] 3.51Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AZI:AZIDE+ION'>AZI</scene>, <scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=CDL:CARDIOLIPIN'>CDL</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=HEC:HEME+C'>HEC</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ICX:METHYL+N-[(5Z)-6-({[4-(4-IODOBENZYL)PHENYL]CARBONYL}AMINO)HEX-5-ENOYL]GLYCINATE'>ICX</scene>, <scene name='pdbligand=PEE:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE'>PEE</scene>, <scene name='pdbligand=UQ:COENZYME+Q10,+(2Z,6E,10Z,14E,18E,22E,26Z)-ISOMER'>UQ</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=3cwb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3cwb OCA], [https://pdbe.org/3cwb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3cwb RCSB], [https://www.ebi.ac.uk/pdbsum/3cwb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3cwb ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/D0VX31_CHICK D0VX31_CHICK] | |||
== Evolutionary Conservation == | |||
[[Image:Consurf_key_small.gif|200px|right]] | |||
Check<jmol> | |||
<jmolCheckbox> | |||
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cw/3cwb_consurf.spt"</scriptWhenChecked> | |||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | |||
<text>to colour the structure by Evolutionary Conservation</text> | |||
</jmolCheckbox> | |||
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3cwb ConSurf]. | |||
<div style="clear:both"></div> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Extensive molecular modeling based on crystallographic data was used to aid the design of synthetic analogues of the fungicidal naturally occurring respiration inhibitors crocacins A and D, and an inhibitor binding model to the mammalian cytochrome bc(1) complex was constructed. Simplified analogues were made which showed high activity in a mitochondrial beef heart respiration assay, and which were also active against certain plant pathogens in glasshouse tests. A crystal structure was obtained of an analogue of crocacin D bound to the chicken heart cytochrome bc(1) complex, which validated the binding model and which confirmed that the crocacins are a new class of inhibitor of the cytochrome bc(1) complex. | |||
The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.,Crowley PJ, Berry EA, Cromartie T, Daldal F, Godfrey CR, Lee DW, Phillips JE, Taylor A, Viner R Bioorg Med Chem. 2008 Dec 15;16(24):10345-55. Epub 2008 Oct 17. PMID:18996700<ref>PMID:18996700</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 3cwb" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Cytochrome bc1 3D structures|Cytochrome bc1 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Gallus gallus]] | |||
[[Category: Large Structures]] | |||
[[Category: Berry EA]] | |||
[[Category: Cromartie T]] | |||
[[Category: Crowley PJ]] | |||
[[Category: Huang L]] | |||
[[Category: Viner R]] | |||
Latest revision as of 09:03, 13 August 2026
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
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