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| | <StructureSection load='5w0a' size='340' side='right'caption='[[5w0a]], [[Resolution|resolution]] 2.90Å' scene=''> | | <StructureSection load='5w0a' size='340' side='right'caption='[[5w0a]], [[Resolution|resolution]] 2.90Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[5w0a]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Cbs_226-95 Cbs 226-95]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W0A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W0A FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5w0a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trichoderma_harzianum Trichoderma harzianum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W0A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5W0A FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.898Å</td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">THAR02_03357 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5544 CBS 226-95])</td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr> |
| - | <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=5w0a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w0a OCA], [http://pdbe.org/5w0a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w0a RCSB], [http://www.ebi.ac.uk/pdbsum/5w0a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w0a 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=5w0a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w0a OCA], [https://pdbe.org/5w0a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5w0a RCSB], [https://www.ebi.ac.uk/pdbsum/5w0a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5w0a ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/A0A2N1LTK3_TRIHA A0A2N1LTK3_TRIHA] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: Cbs 226-95]] | |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Godoy, A S]] | |
| - | [[Category: Kadowaki, M A]] | |
| - | [[Category: Nascimento, A S]] | |
| - | [[Category: Pellegrini, V O.A]] | |
| - | [[Category: Polikarpov, I]] | |
| - | [[Category: Sonoda, M T]] | |
| - | [[Category: Eg]] | |
| - | [[Category: Endoglucanase]] | |
| - | [[Category: Family 7]] | |
| - | [[Category: Fungal]] | |
| - | [[Category: Gh7]] | |
| - | [[Category: Hydrolase]] | |
| | [[Category: Trichoderma harzianum]] | | [[Category: Trichoderma harzianum]] |
| | + | [[Category: Godoy AS]] |
| | + | [[Category: Kadowaki MA]] |
| | + | [[Category: Nascimento AS]] |
| | + | [[Category: Pellegrini VOA]] |
| | + | [[Category: Polikarpov I]] |
| | + | [[Category: Sonoda MT]] |
| Structural highlights
Function
A0A2N1LTK3_TRIHA
Publication Abstract from PubMed
Cellulases from glycoside hydrolase family 7 (GH7) play crucial roles in plant lignocellulose deconstruction by fungi, but structural information available for GH7 fungal endoglucanases is limited when compared to the number of known sequences in the family. Here, we report the X-ray structure of the glycosylated catalytic domain (CD) of Trichoderma harzianum endoglucanase, ThCel7B, solved and refined at 2.9A resolution. Additionally, our extensive molecular dynamics simulations of this enzyme in complex with a variety of oligosaccharides provide a better understanding of its promiscuous hydrolytic activities on plant cell wall polysaccharides. The simulations demonstrate the importance of the hydrogen bond between substrate O2 hydroxyl in the subsite -1 and a side chain of catalytic Glu196 which renders ThCel7B capable to catalytically cleave cello and xylooligosaccharides, but not mannooligosaccharides. Moreover, detailed structural analyses and MD simulations revealed an additional binding pocket, suitable for accommodation of oligosaccharide decorations and/or substrates with mixed glycoside bonds that abuts onto the binding cleft close to subsite +2.
Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides.,Sonoda MT, Godoy AS, Pellegrini VOA, Kadowaki MAS, Nascimento AS, Polikarpov I Biochim Biophys Acta Gen Subj. 2019 Jun;1863(6):1015-1026. doi:, 10.1016/j.bbagen.2019.03.013. Epub 2019 Mar 19. PMID:30898558[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Sonoda MT, Godoy AS, Pellegrini VOA, Kadowaki MAS, Nascimento AS, Polikarpov I. Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides. Biochim Biophys Acta Gen Subj. 2019 Jun;1863(6):1015-1026. doi:, 10.1016/j.bbagen.2019.03.013. Epub 2019 Mar 19. PMID:30898558 doi:http://dx.doi.org/10.1016/j.bbagen.2019.03.013
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