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4g45

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==Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine==
==Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine==
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<StructureSection load='4g45' size='340' side='right' caption='[[4g45]], [[Resolution|resolution]] 1.53&Aring;' scene=''>
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<StructureSection load='4g45' size='340' side='right'caption='[[4g45]], [[Resolution|resolution]] 1.53&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4g45]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G45 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4G45 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4g45]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4G45 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MQN:2-METHYLQUINOLIN-6-AMINE'>MQN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.53&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4g44|4g44]], [[4g46|4g46]], [[4g47|4g47]], [[4g48|4g48]]</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=MQN:2-METHYLQUINOLIN-6-AMINE'>MQN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Rv2276 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</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=4g45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g45 OCA], [https://pdbe.org/4g45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4g45 RCSB], [https://www.ebi.ac.uk/pdbsum/4g45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4g45 ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4g45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g45 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4g45 RCSB], [http://www.ebi.ac.uk/pdbsum/4g45 PDBsum]</span></td></tr>
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</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/CP121_MYCTU CP121_MYCTU]
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Pieces of the puzzle: The first fragment-based approach was used to target cytochrome P450 enzymes (CYPs) for drug development. The experiments provide new insights into the binding site of the essential Mycobacterium tuberculosis CYP121 enzyme, and resulted in a promising novel lead compound based on fragment merging.
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Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121.,Hudson SA, McLean KJ, Surade S, Yang YQ, Leys D, Ciulli A, Munro AW, Abell C Angew Chem Int Ed Engl. 2012 Aug 13. doi: 10.1002/anie.201202544. PMID:22890978<ref>PMID:22890978</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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==See Also==
==See Also==
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*[[Cytochrome P450|Cytochrome P450]]
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*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Abell, C]]
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[[Category: Abell C]]
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[[Category: Ciulli, A]]
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[[Category: Ciulli A]]
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[[Category: Hudson, S A]]
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[[Category: Hudson SA]]
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[[Category: Leys, D]]
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[[Category: Leys D]]
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[[Category: McLean, K J]]
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[[Category: McLean KJ]]
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[[Category: Munro, A W]]
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[[Category: Munro AW]]
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[[Category: Surade, S]]
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[[Category: Surade S]]
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[[Category: Yang, Y Q]]
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[[Category: Yang Y-Q]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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[[Category: P450]]
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Current revision

Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine

PDB ID 4g45

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