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2iei
From Proteopedia
(Difference between revisions)
(New page: 200px<br /><applet load="2iei" size="450" color="white" frame="true" align="right" spinBox="true" caption="2iei, resolution 1.91Å" /> '''Crystal structure of...) |
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| - | [[Image:2iei.gif|left|200px]]<br /><applet load="2iei" size="450" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="2iei, resolution 1.91Å" /> | ||
| - | '''Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone'''<br /> | ||
| - | == | + | ==Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone== |
| - | A series of substituted 3,4-dihydro-2-quinolone glycogen phosphorylase | + | <StructureSection load='2iei' size='340' side='right'caption='[[2iei]], [[Resolution|resolution]] 1.91Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2iei]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IEI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IEI FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FRX:(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE'>FRX</scene>, <scene name='pdbligand=PLR:(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL+DIHYDROGEN+PHOSPHATE'>PLR</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2ieg|2ieg]]</div></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Phosphorylase Phosphorylase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.1 2.4.1.1] </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=2iei FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2iei OCA], [https://pdbe.org/2iei PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2iei RCSB], [https://www.ebi.ac.uk/pdbsum/2iei PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2iei ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[https://www.uniprot.org/uniprot/PYGM_RABIT PYGM_RABIT]] Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties. | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ie/2iei_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </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=2iei ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of substituted 3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors, which have potential as antidiabetic agents, is described. Initial members of the series showed good enzyme inhibitory potency but poor physical properties. Optimisation of the 1-substituent led to 2,3-dihydroxypropyl compounds which showed good in vitro potency and improved physical properties, together with good DMPK profiles and acute in vivo efficacy in a rat model. X-ray crystallographic data are presented, showing an unexpected variety of binding orientations at the dimer interface site. | ||
| - | + | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.,Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP Bioorg Med Chem Lett. 2007 Jan 15;17(2):394-9. Epub 2006 Oct 19. PMID:17095214<ref>PMID:17095214</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| + | <div class="pdbe-citations 2iei" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Glycogen phosphorylase 3D structures|Glycogen phosphorylase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
[[Category: Oryctolagus cuniculus]] | [[Category: Oryctolagus cuniculus]] | ||
[[Category: Phosphorylase]] | [[Category: Phosphorylase]] | ||
| - | + | [[Category: Birch, A M]] | |
| - | [[Category: Birch, A | + | [[Category: Breed, J]] |
| - | [[Category: Breed, J | + | [[Category: Kenny, P W]] |
| - | [[Category: Kenny, P | + | [[Category: Minshull, C]] |
| - | [[Category: Minshull, C | + | [[Category: Oikonomakos, N G]] |
| - | [[Category: Oikonomakos, N | + | [[Category: Otterbein, L]] |
| - | [[Category: Otterbein, L | + | [[Category: Pannifer, A]] |
| - | [[Category: Pannifer, A | + | [[Category: Pauptit, R]] |
| - | [[Category: Pauptit, R | + | [[Category: Rowsell, S]] |
| - | [[Category: Rowsell, S | + | [[Category: Schofield, P]] |
| - | [[Category: Schofield, P | + | [[Category: Whalley, D P]] |
| - | [[Category: Whalley, D | + | [[Category: Whittamore, P R.O]] |
| - | [[Category: Whittamore, P | + | [[Category: Diabetes]] |
| - | [[Category: | + | [[Category: Glucose]] |
| - | [[Category: | + | [[Category: Glycogen phosphorylase]] |
| - | [[Category: | + | [[Category: Transferase]] |
| - | [[Category: | + | |
| - | + | ||
| - | + | ||
| - | + | ||
Current revision
Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone
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Categories: Large Structures | Oryctolagus cuniculus | Phosphorylase | Birch, A M | Breed, J | Kenny, P W | Minshull, C | Oikonomakos, N G | Otterbein, L | Pannifer, A | Pauptit, R | Rowsell, S | Schofield, P | Whalley, D P | Whittamore, P R.O | Diabetes | Glucose | Glycogen phosphorylase | Transferase
