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5ibd

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<StructureSection load='5ibd' size='340' side='right'caption='[[5ibd]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
<StructureSection load='5ibd' size='340' side='right'caption='[[5ibd]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5ibd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IBD OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5IBD FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5ibd]] 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=5IBD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IBD 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=GGJ:4-(3-AMINO[1,1-BIPHENYL]-3-YL)-3-(4-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE'>GGJ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</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]] 1.77&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">cyp121, MT2336 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=GGJ:4-(3-AMINO[1,1-BIPHENYL]-3-YL)-3-(4-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE'>GGJ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Mycocyclosin_synthase Mycocyclosin synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.21.9 1.14.21.9] </span></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=5ibd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ibd OCA], [https://pdbe.org/5ibd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ibd RCSB], [https://www.ebi.ac.uk/pdbsum/5ibd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ibd 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://proteopedia.org/fgij/fg.htm?mol=5ibd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ibd OCA], [http://pdbe.org/5ibd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ibd RCSB], [http://www.ebi.ac.uk/pdbsum/5ibd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ibd ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/CP121_MYCTO CP121_MYCTO]] Catalyzes C-C bond formation between the carbons ortho to the phenolic hydroxyl of cyclo(L-tyr-L-tyr) (cYY) producing mycocyclosin. Can also use cyclo(L-Tyr-L-Phe) (cYF), cyclo(L-Tyr-L-Trp) (cYW) and cyclo(L-Tyr-L-3,4-dihydroxyphenylalanine) (cY-DOPA) as substrate (By similarity).
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[https://www.uniprot.org/uniprot/CP121_MYCTU CP121_MYCTU]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Mycocyclosin synthase]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Levy, C]]
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[[Category: Levy C]]
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[[Category: Fragment based inhibitor screening]]
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[[Category: Mycobacterium tuberculosis cyp121]]
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[[Category: Oxidoreductase]]
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Revision as of 13:44, 30 August 2023

Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a

PDB ID 5ibd

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