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3bc9

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[[Image:3bc9.jpg|left|200px]]
 
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==Alpha-amylase B in complex with acarbose==
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The line below this paragraph, containing "STRUCTURE_3bc9", creates the "Structure Box" on the page.
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<StructureSection load='3bc9' size='340' side='right'caption='[[3bc9]], [[Resolution|resolution]] 1.35&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3bc9]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Halothermothrix_orenii_H_168 Halothermothrix orenii H 168]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BC9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BC9 FirstGlance]. <br>
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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]] 1.35&#8491;</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=AC1:6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-TETRAHYDRO-PYRAN-2,3,4-TRIOL'>AC1</scene>, <scene name='pdbligand=ACI:6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL'>ACI</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G6D:6-DEOXY-ALPHA-D-GLUCOSE'>G6D</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=GLD:4,6-DIDEOXYGLUCOSE'>GLD</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PRD_900007:alpha-acarbose'>PRD_900007</scene></td></tr>
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{{STRUCTURE_3bc9| PDB=3bc9 | SCENE= }}
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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=3bc9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bc9 OCA], [https://pdbe.org/3bc9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bc9 RCSB], [https://www.ebi.ac.uk/pdbsum/3bc9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bc9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/B8CZ54_HALOH B8CZ54_HALOH]
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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/bc/3bc9_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=3bc9 ConSurf].
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<div style="clear:both"></div>
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'''Alpha-amylase B in complex with acarbose'''
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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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The gene for a membrane-bound, halophilic, and thermostable alpha-amylase, AmyB, from Halothermothrix orenii was cloned and sequenced. The crystal structure shows that, in addition to the typical domain organization of family 13 glycoside hydrolases, AmyB carries an additional N-terminal domain (N domain) that forms a large groove--the N-C groove--some 30 A away from the active site. The structure of AmyB with the inhibitor acarbose at 1.35 A resolution shows that a nonasaccharide has been synthesized through successive transglycosylation reactions of acarbose. Unexpectedly, in a complex of wild-type AmyB with alpha-cyclodextrin and maltoheptaose at 2.2 A resolution, a maltotetraose molecule is bound in subsites -1 to +3, spanning the cleavage point at -1/+1, with the -1 glucosyl residue present as a (2)S(o) skew boat. This wild-type AmyB complex was obtained in the presence of a large excess of substrate, a condition under which it is possible to capture Michaelis complexes, which may explain the observed binding across -1/+1 and ring distortion. We observe three methionine side chains that serve as "binding platforms" for glucosyl rings in AmyB, a seemingly rare occurrence in carbohydrate-binding proteins. The structures and results from the biochemical characterization of AmyB and AmyB lacking the N domain show that the N domain increases binding of the enzyme to raw starch. Furthermore, theoretical modeling suggests that the N-C groove can accommodate, spatially and chemically, large substrates such as A-starch.
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[[Category: Halothermothrix orenii H 168]]
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[[Category: Large Structures]]
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==About this Structure==
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[[Category: Divne C]]
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3BC9 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Halothermothrix_orenii Halothermothrix orenii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BC9 OCA].
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[[Category: Mijts BN]]
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[[Category: Patel BKC]]
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==Reference==
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[[Category: Swaminathan K]]
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Crystal structure of the polyextremophilic alpha-amylase AmyB from Halothermothrix orenii: details of a productive enzyme-substrate complex and an N domain with a role in binding raw starch., Tan TC, Mijts BN, Swaminathan K, Patel BK, Divne C, J Mol Biol. 2008 May 9;378(4):850-68. Epub 2008 Feb 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18387632 18387632]
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[[Category: Tan T-C]]
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[[Category: Alpha-amylase]]
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[[Category: Halothermothrix orenii]]
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[[Category: Single protein]]
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[[Category: Divne, C.]]
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[[Category: Mijts, B N.]]
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[[Category: Patel, B K.C.]]
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[[Category: Swaminathan, K.]]
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[[Category: Tan, T C.]]
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[[Category: Acarbose]]
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[[Category: Alpha-amylase]]
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[[Category: Halophilic]]
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[[Category: Hydrolase]]
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[[Category: N domain]]
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[[Category: Raw starch binding]]
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[[Category: Thermostable]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Apr 24 09:48:10 2008''
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Current revision

Alpha-amylase B in complex with acarbose

PDB ID 3bc9

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