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1nx9

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[[Image:1nx9.gif|left|200px]]
 
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{{Structure
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==Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin==
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|PDB= 1nx9 |SIZE=350|CAPTION= <scene name='initialview01'>1nx9</scene>, resolution 2.20&Aring;
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<StructureSection load='1nx9' size='340' side='right'caption='[[1nx9]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=AIC:(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC+ACID'>AIC</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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<table><tr><td colspan='2'>[[1nx9]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetobacter_pasteurianus Acetobacter pasteurianus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NX9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NX9 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Alpha-amino-acid_esterase Alpha-amino-acid esterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.43 3.1.1.43]
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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]] 2.2&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AIC:(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC+ACID'>AIC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=1nx9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nx9 OCA], [https://pdbe.org/1nx9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nx9 RCSB], [https://www.ebi.ac.uk/pdbsum/1nx9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nx9 ProSAT]</span></td></tr>
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</table>
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'''Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin'''
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== Function ==
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[https://www.uniprot.org/uniprot/Q8VRK8_ACEPA Q8VRK8_ACEPA]
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== Evolutionary Conservation ==
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==Overview==
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[[Image:Consurf_key_small.gif|200px|right]]
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The alpha-amino acid ester hydrolase (AEH) from Acetobacter turbidans is a bacterial enzyme catalyzing the hydrolysis and synthesis of beta-lactam antibiotics. The crystal structures of the native enzyme, both unliganded and in complex with the hydrolysis product D-phenylglycine are reported, as well as the structures of an inactive mutant (S205A) complexed with the substrate ampicillin, and an active site mutant (Y206A) with an increased tendency to catalyze antibiotic production rather than hydrolysis. The structure of the native enzyme shows an acyl binding pocket, in which D-phenylglycine binds, and an additional space that is large enough to accommodate the beta-lactam moiety of an antibiotic. In the S205A mutant, ampicillin binds in this pocket in a non-productive manner, making extensive contacts with the side chain of Tyr(112), which also participates in oxyanion hole formation. In the Y206A mutant, the Tyr(112) side chain has moved with its hydroxyl group toward the catalytic serine. Because this changes the properties of the beta-lactam binding site, this could explain the increased beta-lactam transferase activity of this mutant.
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Check<jmol>
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<jmolCheckbox>
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==About this Structure==
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/nx/1nx9_consurf.spt"</scriptWhenChecked>
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1NX9 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Acetobacter_pasteurianus Acetobacter pasteurianus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NX9 OCA].
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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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==Reference==
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</jmolCheckbox>
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Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme., Barends TR, Polderman-Tijmes JJ, Jekel PA, Williams C, Wybenga G, Janssen DB, Dijkstra BW, J Biol Chem. 2006 Mar 3;281(9):5804-10. Epub 2005 Dec 23. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16377627 16377627]
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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=1nx9 ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
[[Category: Acetobacter pasteurianus]]
[[Category: Acetobacter pasteurianus]]
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[[Category: Alpha-amino-acid esterase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Barends TRM]]
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[[Category: Barends, T R.M.]]
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[[Category: Dijkstra BW]]
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[[Category: Dijkstra, B W.]]
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[[Category: Janssen DB]]
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[[Category: Janssen, D B.]]
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[[Category: Jekel PA]]
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[[Category: Jekel, P A.]]
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[[Category: Polderman-Tijmes JJ]]
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[[Category: Polderman-Tijmes, J J.]]
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[[Category: AIC]]
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[[Category: GOL]]
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[[Category: alpha/beta hydrolase]]
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[[Category: jellyroll]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:02:55 2008''
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Current revision

Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin

PDB ID 1nx9

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