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4ipn

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==The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae==
==The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae==
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<StructureSection load='4ipn' size='340' side='right' caption='[[4ipn]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
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<StructureSection load='4ipn' size='340' side='right'caption='[[4ipn]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4ipn]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Strpn Strpn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IPN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IPN FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4ipn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae_TIGR4 Streptococcus pneumoniae TIGR4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4IPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IPN 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=1FT:4-S-(6-O-PHOSPHONO-ALPHA-L-IDOPYRANOSYL)-4-THIO-BETA-D-GLUCOPYRANOSE'>1FT</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.411&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ipl|4ipl]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PRD_900096:thio-alpha-cellobiose+6-phosphate'>PRD_900096</scene>, <scene name='pdbligand=RTG:6-O-phosphono-alpha-L-idopyranose'>RTG</scene>, <scene name='pdbligand=SGC:4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE'>SGC</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">bglA-2, SP_0578 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=170187 STRPN])</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4ipn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ipn OCA], [https://pdbe.org/4ipn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ipn RCSB], [https://www.ebi.ac.uk/pdbsum/4ipn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ipn ProSAT]</span></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/6-phospho-beta-glucosidase 6-phospho-beta-glucosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.86 3.2.1.86] </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=4ipn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ipn OCA], [http://pdbe.org/4ipn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ipn RCSB], [http://www.ebi.ac.uk/pdbsum/4ipn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ipn ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/A0A0H2UP35_STRPN A0A0H2UP35_STRPN]
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The 6-phospho-beta-glucosidase BglA-2 (EC 3.2.1.86) from glycoside hydrolase family 1 (GH-1) catalyzes the hydrolysis of beta-1,4-linked cellobiose 6-phosphate (cellobiose-6'P) to yield glucose and glucose 6-phosphate. Both reaction products are further metabolized by the energy-generating glycolytic pathway. Here, we present the first crystal structures of the apo and complex forms of BglA-2 with thiocellobiose-6'P (a non-metabolizable analog of cellobiose-6'P) at 2.0 and 2.4 A resolution, respectively. Similar to other GH-1 enzymes, the overall structure of BglA-2 from Streptococcus pneumoniae adopts a typical (beta/alpha)8 TIM-barrel, with the active site located at the center of the convex surface of the beta-barrel. Structural analyses, in combination with enzymatic data obtained from site-directed mutant proteins, suggest that three aromatic residues, Tyr(126), Tyr(303), and Trp(338), at subsite +1 of BglA-2 determine substrate specificity with respect to 1,4-linked 6-phospho-beta-glucosides. Moreover, three additional residues, Ser(424), Lys(430), and Tyr(432) of BglA-2, were found to play important roles in the hydrolytic selectivity toward phosphorylated rather than non-phosphorylated compounds. Comparative structural analysis suggests that a tryptophan versus a methionine/alanine residue at subsite -1 may contribute to the catalytic and substrate selectivity with respect to structurally similar 6-phospho-beta-galactosidases and 6-phospho-beta-glucosidases assigned to the GH-1 family.
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Structural Insights into the Substrate Specificity of a 6-Phospho-beta-glucosidase BglA-2 from Streptococcus pneumoniae TIGR4.,Yu WL, Jiang YL, Pikis A, Cheng W, Bai XH, Ren YM, Thompson J, Zhou CZ, Chen Y J Biol Chem. 2013 May 24;288(21):14949-58. doi: 10.1074/jbc.M113.454751. Epub, 2013 Apr 11. PMID:23580646<ref>PMID:23580646</ref>
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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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<div class="pdbe-citations 4ipn" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Beta-glucosidase|Beta-glucosidase]]
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*[[Beta-glucosidase 3D structures|Beta-glucosidase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 6-phospho-beta-glucosidase]]
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[[Category: Large Structures]]
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[[Category: Strpn]]
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[[Category: Streptococcus pneumoniae TIGR4]]
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[[Category: Andreas, P]]
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[[Category: Andreas P]]
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[[Category: Bai, X H]]
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[[Category: Bai XH]]
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[[Category: Chen, Y X]]
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[[Category: Chen YX]]
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[[Category: Cheng, W]]
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[[Category: Cheng W]]
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[[Category: Jiang, Y L]]
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[[Category: Jiang YL]]
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[[Category: Ren, Y M]]
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[[Category: Ren YM]]
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[[Category: Thompsonn, J]]
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[[Category: Thompsonn J]]
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[[Category: Yu, W L]]
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[[Category: Yu WL]]
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[[Category: Zhou, C Z]]
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[[Category: Zhou CZ]]
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[[Category: Hydrolase]]
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[[Category: Hydrolysase]]
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Current revision

The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae

PDB ID 4ipn

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