3e7f
From Proteopedia
(Difference between revisions)
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<StructureSection load='3e7f' size='340' side='right'caption='[[3e7f]], [[Resolution|resolution]] 2.20Å' scene=''> | <StructureSection load='3e7f' size='340' side='right'caption='[[3e7f]], [[Resolution|resolution]] 2.20Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
- | <table><tr><td colspan='2'>[[3e7f]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/ | + | <table><tr><td colspan='2'>[[3e7f]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E7F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E7F FirstGlance]. <br> |
- | </td></tr><tr id=' | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2Å</td></tr> |
- | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6PG:6-PHOSPHOGLUCONIC+ACID'>6PG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | |
- | <tr id=' | + | |
- | + | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3e7f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e7f OCA], [https://pdbe.org/3e7f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e7f RCSB], [https://www.ebi.ac.uk/pdbsum/3e7f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e7f ProSAT]</span></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=3e7f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e7f OCA], [https://pdbe.org/3e7f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e7f RCSB], [https://www.ebi.ac.uk/pdbsum/3e7f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e7f ProSAT]</span></td></tr> | ||
</table> | </table> | ||
+ | == Function == | ||
+ | [https://www.uniprot.org/uniprot/Q9GRG6_9TRYP Q9GRG6_9TRYP] | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3e7f ConSurf]. | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3e7f ConSurf]. | ||
<div style="clear:both"></div> | <div style="clear:both"></div> | ||
- | <div style="background-color:#fffaf0;"> | ||
- | == Publication Abstract from PubMed == | ||
- | Trypanosoma brucei is the causative agent of African sleeping sickness. Current work for the development of new drugs against this pathology includes evaluation of enzymes of the pentose phosphate pathway (PPP), which first requires a clear understanding of their function and mechanism of action. In this context, we focused on T. brucei 6-phosphogluconolactonase (Tb6PGL), which converts delta-6-phosphogluconolactone into 6-phosphogluconic acid in the second step of the PPP. We have determined the crystal structure of Tb6PGL in complex with two ligands, 6-phosphogluconic acid and citrate, at 2.2 A and 2.0 A resolution, respectively. We have performed molecular dynamics (MD) simulations on Tb6PGL in its empty form and in complex with delta-6-phosphogluconolactone, its natural ligand. Analysis of the structural data and MD simulations allowed us to propose a detailed enzymatic mechanism for 6PGL enzymes. | ||
- | |||
- | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation.,Duclert-Savatier N, Poggi L, Miclet E, Lopes P, Ouazzani J, Chevalier N, Nilges M, Delarue M, Stoven V J Mol Biol. 2009 May 22;388(5):1009-21. Epub 2009 Apr 1. PMID:19345229<ref>PMID:19345229</ref> | ||
- | |||
- | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
- | </div> | ||
- | <div class="pdbe-citations 3e7f" style="background-color:#fffaf0;"></div> | ||
- | == References == | ||
- | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
- | [[Category: Gluconolactonase]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
- | [[Category: Delarue, M]] | ||
- | [[Category: Duclert-Savatier, N]] | ||
- | [[Category: Poggi, L]] | ||
- | [[Category: Stoven, V]] | ||
- | [[Category: 6-phosphogluconolactonase]] | ||
- | [[Category: Catalytic mechanism]] | ||
- | [[Category: Hydrolase]] | ||
- | [[Category: Pentose phosphate pathway]] | ||
[[Category: Trypanosoma brucei]] | [[Category: Trypanosoma brucei]] | ||
- | [[Category: | + | [[Category: Delarue M]] |
+ | [[Category: Duclert-Savatier N]] | ||
+ | [[Category: Poggi L]] | ||
+ | [[Category: Stoven V]] |
Current revision
Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed with 6-phosphogluconic acid
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