View source for 4g45


==Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine==
<StructureSection load='4g45' size='340' side='right'caption='[[4g45]], [[Resolution|resolution]] 1.53&Aring;' scene=''>
== Structural highlights ==
<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>
</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>
<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>
<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>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CP121_MYCTU CP121_MYCTU] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.

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>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4g45" style="background-color:#fffaf0;"></div>

==See Also==
*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Abell C]]
[[Category: Ciulli A]]
[[Category: Hudson SA]]
[[Category: Leys D]]
[[Category: McLean KJ]]
[[Category: Munro AW]]
[[Category: Surade S]]
[[Category: Yang Y-Q]]