7bop
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
==Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, Mn/GDP-form== | ==Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, Mn/GDP-form== | ||
| - | <StructureSection load='7bop' size='340' side='right'caption='[[7bop]]' scene=''> | + | <StructureSection load='7bop' size='340' side='right'caption='[[7bop]], [[Resolution|resolution]] 1.90Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BOP OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7BOP FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7bop]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BOP OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=7BOP FirstGlance]. <br> |
| - | </td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7bop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bop OCA], [http://pdbe.org/7bop PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7bop RCSB], [http://www.ebi.ac.uk/pdbsum/7bop PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7bop ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GDP:GUANOSINE-5-DIPHOSPHATE'>GDP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr> |
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[7boo|7boo]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">AFUB_051270 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=451804 ASPFC])</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=7bop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bop OCA], [http://pdbe.org/7bop PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=7bop RCSB], [http://www.ebi.ac.uk/pdbsum/7bop PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=7bop ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Fungal cell walls and their biosynthetic enzymes are potential targets for novel antifungal agents. Recently, two mannosyltransferases, namely core-mannan synthases A (CmsA/Ktr4) and B (CmsB/Ktr7), were found to play roles in the core-mannan biosynthesis of fungal-type galactomannan. CmsA/Ktr4 is an alpha-(1-->2)-mannosyltransferase responsible for alpha-(1-->2)-mannan biosynthesis in fungal-type galactomannan, which covers the cell surface of Aspergillus fumigatus Strains with disrupted cmsA/ktr4 have been shown to exhibit strongly suppressed hyphal elongation and conidiation alongside reduced virulence in a mouse model of invasive aspergillosis, indicating that CmsA/Ktr4 is a potential novel antifungal candidate. In this study we present the 3-D structures of the soluble catalytic domain of CmsA/Ktr4, as determined by X-ray crystallography at a resolution of 1.95A, as well as the enzyme and Mn(2+)/GDP complex to 1.90A resolution. The CmsA/Ktr4 protein not only contains a highly conserved binding pocket for the donor substrate, GDP-mannose, but also has a unique broad cleft structure formed by its N- and C-terminal regions and is expected to recognize the acceptor substrate, a mannan chain. Based on these crystal structures, we also present a 3-D structural model of the enzyme-substrate complex generated using docking and molecular dynamics simulations with alpha-Man-(1-->6)-alpha-Man-(1-->2)-alpha-Man-OMe as the model structure for the acceptor substrate. This predicted enzyme-substrate complex structure is also supported by findings from single amino acid substitution CmsA/Ktr4 mutants expressed in DeltacmsA/ktr4 A fumigatus cells. Taken together, these results provide basic information for developing specific alpha-mannan biosynthesis inhibitors for use as pharmaceuticals and/or pesticides. | ||
| + | |||
| + | Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus.,Hira D, Onoue T, Oka T J Biol Chem. 2020 Sep 1. pii: RA120.013742. doi: 10.1074/jbc.RA120.013742. PMID:32873705<ref>PMID:32873705</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7bop" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Aspfc]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Hira D]] | + | [[Category: Hira, D]] |
| - | [[Category: Oka T]] | + | [[Category: Oka, T]] |
| - | [[Category: Onoue T]] | + | [[Category: Onoue, T]] |
| + | [[Category: Mannosyltransferase]] | ||
| + | [[Category: Transferase]] | ||
Revision as of 06:20, 14 October 2020
Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, Mn/GDP-form
| |||||||||||
