2jjp

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[[Image:2jjp.png|left|200px]]
 
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{{STRUCTURE_2jjp| PDB=2jjp | SCENE= }}
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==Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)==
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<StructureSection load='2jjp' size='340' side='right'caption='[[2jjp]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2jjp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharopolyspora_erythraea Saccharopolyspora erythraea]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2JJP 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]] 2.1&#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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=KLN:1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE'>KLN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=2jjp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jjp OCA], [https://pdbe.org/2jjp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2jjp RCSB], [https://www.ebi.ac.uk/pdbsum/2jjp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2jjp ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ERYK_SACEN ERYK_SACEN]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jj/2jjp_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=2jjp ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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EryK is a bacterial cytochrome P450 that catalyzes the last hydroxylation occurring during the biosynthetic pathway of erythromycin A in Streptomyces erythraeus. We report the crystal structures of EryK in complex with two widely used azole inhibitors: ketoconazole and clotrimazole. Both these ligands use their imidazole moiety to coordinate the heme iron of P450s. Nevertheless, because of the different chemical and structural properties of their N1-substituent group, ketoconazole and clotrimazole trap EryK, respectively, in a closed and in an open conformation that resemble the two structures previously described for the ligand-free EryK. Indeed ligands induce a distortion of the internal helix I that affects the accessibility of the binding pocket by regulating the kink of the external helix G via a network of interactions that involves helix F. The data presented thus constitute an example of how a cytochrome P450 may be selectively trapped in different conformational states by inhibitors.
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===STRUCTURE OF CYTOCHROME P450 ERYK IN COMPLEX WITH INHIBITOR KETOCONAZOLE (KC)===
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Azole drugs trap cytochrome P450 EryK in alternative conformational states.,Montemiglio LC, Gianni S, Vallone B, Savino C Biochemistry. 2010 Sep 16. PMID:20845962<ref>PMID:20845962</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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==About this Structure==
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</div>
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[[2jjp]] is a 1 chain structure of [[Cytochrome P450]] with sequence from [http://en.wikipedia.org/wiki/Saccharopolyspora_erythraea Saccharopolyspora erythraea]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJP OCA].
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<div class="pdbe-citations 2jjp" style="background-color:#fffaf0;"></div>
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== References ==
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==See Also==
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<references/>
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*[[Cytochrome P450|Cytochrome P450]]
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Saccharopolyspora erythraea]]
[[Category: Saccharopolyspora erythraea]]
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[[Category: Kendrew, S G.]]
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[[Category: Kendrew SG]]
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[[Category: Miele, A E.]]
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[[Category: Miele AE]]
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[[Category: Savino, C.]]
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[[Category: Savino C]]
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[[Category: Sciara, G.]]
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[[Category: Sciara G]]
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[[Category: Vallone, B.]]
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[[Category: Vallone B]]
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[[Category: Antibiotic biosynthesis]]
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[[Category: Cytochrome p450]]
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[[Category: Heme]]
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[[Category: Iron]]
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[[Category: Metal-binding]]
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[[Category: Monooxygenase]]
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[[Category: Oxidoreductase]]
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[[Category: Substrate specificity]]
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[[Category: Tie-rod mechanism of action]]
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Current revision

Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)

PDB ID 2jjp

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