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| | <StructureSection load='3x2p' size='340' side='right'caption='[[3x2p]], [[Resolution|resolution]] 1.52Å' scene=''> | | <StructureSection load='3x2p' size='340' side='right'caption='[[3x2p]], [[Resolution|resolution]] 1.52Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[3x2p]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Chrysosporium_pruinosum_(gilman_&_abbott)_carmich. Chrysosporium pruinosum (gilman & abbott) carmich.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X2P OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3X2P FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[3x2p]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Phanerodontia_chrysosporium Phanerodontia chrysosporium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X2P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3X2P FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CE5:CELLOPENTAOSE'>CE5</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Hybrid , Neutron Diffraction , X-ray diffraction, [[Resolution|Resolution]] 1.518Å</td></tr> |
| - | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=41Q:4-IMINO-L-HOMOSERINE'>41Q</scene></td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=41Q:4-IMINO-L-HOMOSERINE'>41Q</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene></td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3x2g|3x2g]], [[3x2h|3x2h]], [[3x2i|3x2i]], [[3x2j|3x2j]], [[3x2k|3x2k]], [[3x2l|3x2l]], [[3x2m|3x2m]], [[3x2n|3x2n]], [[3x2o|3x2o]]</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=3x2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x2p OCA], [https://pdbe.org/3x2p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3x2p RCSB], [https://www.ebi.ac.uk/pdbsum/3x2p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3x2p ProSAT]</span></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">egv, PcCel45A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5306 Chrysosporium pruinosum (Gilman & Abbott) Carmich.])</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=3x2p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x2p OCA], [http://pdbe.org/3x2p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x2p RCSB], [http://www.ebi.ac.uk/pdbsum/3x2p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3x2p ProSAT]</span></td></tr> | + | |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/B3Y002_PHACH B3Y002_PHACH] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | </StructureSection> | | </StructureSection> |
| | [[Category: Large Structures]] | | [[Category: Large Structures]] |
| - | [[Category: Igarashi, K]] | + | [[Category: Phanerodontia chrysosporium]] |
| - | [[Category: Ishida, T]] | + | [[Category: Igarashi K]] |
| - | [[Category: Kusaka, K]] | + | [[Category: Ishida T]] |
| - | [[Category: Nakamura, A]] | + | [[Category: Kusaka K]] |
| - | [[Category: Niimura, N]] | + | [[Category: Nakamura A]] |
| - | [[Category: Samejima, M]] | + | [[Category: Niimura N]] |
| - | [[Category: Tanaka, I]] | + | [[Category: Samejima M]] |
| - | [[Category: Yamada, T]] | + | [[Category: Tanaka I]] |
| - | [[Category: Hydrolase]]
| + | [[Category: Yamada T]] |
| Structural highlights
3x2p is a 1 chain structure with sequence from Phanerodontia chrysosporium. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Method: | Hybrid , Neutron Diffraction , X-ray diffraction, Resolution 1.518Å |
| Ligands: | , , |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Function
B3Y002_PHACH
Publication Abstract from PubMed
Hydrolysis of carbohydrates is a major bioreaction in nature, catalyzed by glycoside hydrolases (GHs). We used neutron diffraction and high-resolution x-ray diffraction analyses to investigate the hydrogen bond network in inverting cellulase PcCel45A, which is an endoglucanase belonging to subfamily C of GH family 45, isolated from the basidiomycete Phanerochaete chrysosporium. Examination of the enzyme and enzyme-ligand structures indicates a key role of multiple tautomerizations of asparagine residues and peptide bonds, which are finally connected to the other catalytic residue via typical side-chain hydrogen bonds, in forming the "Newton's cradle"-like proton relay pathway of the catalytic cycle. Amide-imidic acid tautomerization of asparagine has not been taken into account in recent molecular dynamics simulations of not only cellulases but also general enzyme catalysis, and it may be necessary to reconsider our interpretation of many enzymatic reactions.
"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.,Nakamura A, Ishida T, Kusaka K, Yamada T, Fushinobu S, Tanaka I, Kaneko S, Ohta K, Tanaka H, Inaka K, Higuchi Y, Niimura N, Samejima M, Igarashi K Sci Adv. 2015 Aug 21;1(7):e1500263. doi: 10.1126/sciadv.1500263. eCollection 2015, Aug. PMID:26601228[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Nakamura A, Ishida T, Kusaka K, Yamada T, Fushinobu S, Tanaka I, Kaneko S, Ohta K, Tanaka H, Inaka K, Higuchi Y, Niimura N, Samejima M, Igarashi K. "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv. 2015 Aug 21;1(7):e1500263. doi: 10.1126/sciadv.1500263. eCollection 2015, Aug. PMID:26601228 doi:http://dx.doi.org/10.1126/sciadv.1500263
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