4eg6

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[[Image:4eg6.png|left|200px]]
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==Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325==
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<StructureSection load='4eg6' size='340' side='right' caption='[[4eg6]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4eg6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_strain_927/4_gutat10.1 Trypanosoma brucei brucei strain 927/4 gutat10.1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4EG6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EG6 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=0P5:4-{4-[(1H-BENZIMIDAZOL-2-YLMETHYL)AMINO]-6-(2-CHLORO-4-METHOXYPHENOXY)PYRIMIDIN-2-YL}PIPERAZIN-2-ONE'>0P5</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MET:METHIONINE'>MET</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CAS:S-(DIMETHYLARSENIC)CYSTEINE'>CAS</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4eg1|4eg1]], [[4eg3|4eg3]], [[4eg4|4eg4]], [[4eg5|4eg5]], [[4eg7|4eg7]], [[4eg8|4eg8]], [[4ega|4ega]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Tb10.70.6470 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=999953 Trypanosoma brucei brucei strain 927/4 GUTat10.1])</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/Methionine--tRNA_ligase Methionine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.10 6.1.1.10] </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=4eg6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eg6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eg6 RCSB], [http://www.ebi.ac.uk/pdbsum/4eg6 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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To guide development of new drugs targeting methionyl-tRNA synthetase (MetRS) for treatment of human African trypanosomiasis, crystal structure determinations of Trypanosoma brucei MetRS in complex with its substrate methionine and its intermediate product methionyl-adenylate were followed by those of the enzyme in complex with high-affinity aminoquinolone inhibitors via soaking experiments. Drastic changes in conformation of one of the two enzymes in the asymmetric unit allowed these inhibitors to occupy an enlarged methionine pocket and a new so-called auxiliary pocket. Interestingly, a small low-affinity compound caused the same conformational changes, removed the methionine without occupying the methionine pocket, and occupied the previously not existing auxiliary pocket. Analysis of these structures indicates that the binding of the inhibitors is the result of conformational selection, not induced fit.
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{{STRUCTURE_4eg6| PDB=4eg6 | SCENE= }}
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Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.,Koh CY, Kim JE, Shibata S, Ranade RM, Yu M, Liu J, Gillespie JR, Buckner FS, Verlinde CL, Fan E, Hol WG Structure. 2012 Aug 14. PMID:22902861<ref>PMID:22902861</ref>
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===Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325===
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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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{{ABSTRACT_PUBMED_22902861}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[4eg6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_strain_927/4_gutat10.1 Trypanosoma brucei brucei strain 927/4 gutat10.1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4EG6 OCA].
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</StructureSection>
[[Category: Methionine--tRNA ligase]]
[[Category: Methionine--tRNA ligase]]
[[Category: Trypanosoma brucei brucei strain 927/4 gutat10 1]]
[[Category: Trypanosoma brucei brucei strain 927/4 gutat10 1]]
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[[Category: Fan, E.]]
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[[Category: Fan, E]]
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[[Category: Hol, W G.J.]]
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[[Category: Hol, W G.J]]
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[[Category: Kim, J E.]]
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[[Category: Kim, J E]]
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[[Category: Koh, C Y.]]
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[[Category: Koh, C Y]]
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[[Category: Shibata, S.]]
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[[Category: Shibata, S]]
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[[Category: Verlinde, C L.M J.]]
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[[Category: Verlinde, C L.M J]]
[[Category: Aar]]
[[Category: Aar]]
[[Category: Aminoacyl-trna synthetase]]
[[Category: Aminoacyl-trna synthetase]]

Revision as of 08:33, 15 February 2015

Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325

4eg6, resolution 2.90Å

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