6qr3: Difference between revisions

← Older edit

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 6qr3 is ON HOLD
+==Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor==
+<StructureSection load='6qr3' size='340' side='right'caption='[[6qr3]], [[Resolution|resolution]] 1.61&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6qr3]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacteroides_abscessus Mycobacteroides abscessus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QR3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QR3 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]] 1.614&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JE8:5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile'>JE8</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=6qr3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qr3 OCA], [https://pdbe.org/6qr3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qr3 RCSB], [https://www.ebi.ac.uk/pdbsum/6qr3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qr3 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/B1MDI3_MYCA9 B1MDI3_MYCA9] Specifically methylates guanosine-37 in various tRNAs.[HAMAP-Rule:MF_00605][RuleBase:RU003464][SAAS:SAAS00040552]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant nontuberculous mycobacteria that has emerged as a growing threat to individuals with cystic fibrosis and other pre-existing chronic lung diseases. Mab pulmonary infections are difficult, or sometimes impossible, to treat and result in accelerated lung function decline and premature death. There is therefore an urgent need to develop novel antibiotics with improved efficacy. tRNA (m(1)G37) methyltransferase (TrmD) is a promising target for novel antibiotics. It is essential in Mab and other mycobacteria, improving reading frame maintenance on the ribosome to prevent frameshift errors. In this work, a fragment-based approach was employed with the merging of two fragments bound to the active site, followed by structure-guided elaboration to design potent nanomolar inhibitors against Mab TrmD. Several of these compounds exhibit promising activity against mycobacterial species, including Mycobacterium tuberculosis and Mycobacterium leprae in addition to Mab, supporting the use of TrmD as a target for the development of antimycobacterial compounds.
-Authors: Thomas, S.E., Whitehouse, A.J., Coyne, A.G., Abell, C., Mendes, V., Blundell, T.L.
+Development of Inhibitors against Mycobacterium abscessus tRNA (m(1)G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.,Whitehouse AJ, Thomas SE, Brown KP, Fanourakis A, Chan DS, Libardo MDJ, Mendes V, Boshoff HIM, Floto RA, Abell C, Blundell TL, Coyne AG J Med Chem. 2019 Aug 8;62(15):7210-7232. doi: 10.1021/acs.jmedchem.9b00809. Epub , 2019 Jul 19. PMID:31282680<ref>PMID:31282680</ref>
-Description: Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Blundell, T.L]]
+<div class="pdbe-citations 6qr3" style="background-color:#fffaf0;"></div>
-[[Category: Mendes, V]]
-[[Category: Thomas, S.E]]
+==See Also==
-[[Category: Abell, C]]
+*[[TRNA methyltransferase 3D structures|TRNA methyltransferase 3D structures]]
-[[Category: Whitehouse, A.J]]
+== References ==
-[[Category: Coyne, A.G]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Mycobacteroides abscessus]]
+[[Category: Abell C]]
+[[Category: Blundell TL]]
+[[Category: Coyne AG]]
+[[Category: Mendes V]]
+[[Category: Thomas SE]]
+[[Category: Whitehouse AJ]]