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1u33

From Proteopedia

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[[Image:1u33.gif|left|200px]]
 
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{{Structure
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==In situ extension as an approach for identifying novel alpha-amylase inhibitors==
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|PDB= 1u33 |SIZE=350|CAPTION= <scene name='initialview01'>1u33</scene>, resolution 1.95&Aring;
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<StructureSection load='1u33' size='340' side='right'caption='[[1u33]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=LM2:4&#39;-O-METHYL-MALTOSYL-ALPHA+(1,4)-(Z,+3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE'>LM2</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=CL:CHLORIDE ION'>CL</scene>
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<table><tr><td colspan='2'>[[1u33]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U33 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1U33 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Alpha-amylase Alpha-amylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.1 3.2.1.1]
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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]] 1.95&#8491;</td></tr>
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|GENE= AMY2A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LM2:4-O-METHYL-MALTOSYL-ALPHA+(1,4)-(Z,+3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE'>LM2</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene></td></tr>
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}}
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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=1u33 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u33 OCA], [https://pdbe.org/1u33 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1u33 RCSB], [https://www.ebi.ac.uk/pdbsum/1u33 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1u33 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AMYP_HUMAN AMYP_HUMAN]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/u3/1u33_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1u33 ConSurf].
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<div style="clear:both"></div>
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'''In situ extension as an approach for identifying novel alpha-amylase inhibitors'''
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==See Also==
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*[[Amylase 3D structures|Amylase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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A new approach for the discovery and subsequent structural elucidation of oligosaccharide-based inhibitors of alpha-amylases based upon autoglucosylation of known alpha-glucosidase inhibitors is presented. This concept, highly analogous to what is hypothesized to occur with acarbose, is demonstrated with the known alpha-glucosidase inhibitor, d-gluconohydroximino-1,5-lactam. This was transformed from an inhibitor of human pancreatic alpha-amylase with a K(i) value of 18 mm to a trisaccharide analogue with a K(i) value of 25 mum. The three-dimensional structure of this complex was determined by x-ray crystallography and represents the first such structure determined with this class of inhibitors in any alpha-glycosidase. This approach to the discovery and structural analysis of amylase inhibitors should be generally applicable to other endoglucosidases and readily adaptable to a high throughput format.
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==About this Structure==
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1U33 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U33 OCA].
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==Reference==
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In situ extension as an approach for identifying novel alpha-amylase inhibitors., Numao S, Damager I, Li C, Wrodnigg TM, Begum A, Overall CM, Brayer GD, Withers SG, J Biol Chem. 2004 Nov 12;279(46):48282-91. Epub 2004 Aug 10. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15304511 15304511]
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[[Category: Alpha-amylase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Begum, A.]]
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[[Category: Begum A]]
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[[Category: Brayer, G D.]]
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[[Category: Brayer GD]]
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[[Category: Damager, I.]]
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[[Category: Damager I]]
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[[Category: Li, C.]]
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[[Category: Li C]]
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[[Category: Numao, S.]]
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[[Category: Numao S]]
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[[Category: Overall, C M.]]
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[[Category: Overall CM]]
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[[Category: Withers, S G.]]
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[[Category: Withers SG]]
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[[Category: Wrodnigg, T M.]]
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[[Category: Wrodnigg TM]]
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[[Category: CA]]
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[[Category: CL]]
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[[Category: LM2]]
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[[Category: NAG]]
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[[Category: acarbose]]
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[[Category: enzyme mechanism]]
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[[Category: glucosidase]]
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[[Category: glycosidase]]
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[[Category: human pancreatic alpha-amylase]]
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[[Category: inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 13:49:20 2008''
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Current revision

In situ extension as an approach for identifying novel alpha-amylase inhibitors

PDB ID 1u33

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