1cx9

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[[Image:1cx9.gif|left|200px]]
 
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{{Structure
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==CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID==
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|PDB= 1cx9 |SIZE=350|CAPTION= <scene name='initialview01'>1cx9</scene>, resolution 2.3&Aring;
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<StructureSection load='1cx9' size='340' side='right'caption='[[1cx9]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NHP:4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC+ACID'>NHP</scene> and <scene name='pdbligand=PLP:PYRIDOXAL-5'-PHOSPHATE'>PLP</scene>
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<table><tr><td colspan='2'>[[1cx9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium Salmonella enterica subsp. enterica serovar Typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CX9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CX9 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Tryptophan_synthase Tryptophan synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.20 4.2.1.20]
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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]] 2.3&#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=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NHP:4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC+ACID'>NHP</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</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=1cx9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1cx9 OCA], [https://pdbe.org/1cx9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1cx9 RCSB], [https://www.ebi.ac.uk/pdbsum/1cx9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1cx9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRPB_SALTY TRPB_SALTY] The beta subunit is responsible for the synthesis of L-tryptophan from indole and L-serine.
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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/cx/1cx9_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=1cx9 ConSurf].
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<div style="clear:both"></div>
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'''CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID'''
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==See Also==
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*[[Tryptophan synthase 3D structures|Tryptophan synthase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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In an effort to use a structure-based approach for the design of new herbicides, the crystal structures of complexes of tryptophan synthase with a series of phosphonate enzyme inhibitors were determined at 2.3 A or higher resolution. These inhibitors were designed to mimic the transition state formed during the alpha-reaction of the enzyme and, as expected, have affinities much greater than that of the natural substrate indole-3-glycerol phosphate or its nonhydrolyzable analogue indole propanol phosphate (IPP). These inhibitors are ortho-substituted arylthioalkylphosphonate derivatives that have an sp(3)-hybridized sulfur atom, designed to mimic the putative tetrahedral transition state at the C3 atom of the indole, and lack the C2 atom to allow for higher conformational flexibility. Overall, the inhibitors bind in a fashion similar to that of IPP. Glu-49 and Phe-212 are the two active site residues whose conformation changes upon inhibitor binding. A very short hydrogen bond between a phosphonate oxygen and the Ser-235 hydroxyl oxygen may be responsible for stabilization of the enzyme-inhibitor complexes. Implications for the mechanism of catalysis as well as directions for more potent inhibitors are discussed.
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[[Category: Large Structures]]
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[[Category: Salmonella enterica subsp. enterica serovar Typhimurium]]
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==About this Structure==
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[[Category: Anderson KS]]
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1CX9 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Salmonella_typhimurium Salmonella typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CX9 OCA].
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[[Category: Dealwis C]]
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[[Category: Liang PH]]
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==Reference==
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[[Category: Lolis E]]
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Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase., Sachpatzidis A, Dealwis C, Lubetsky JB, Liang PH, Anderson KS, Lolis E, Biochemistry. 1999 Sep 28;38(39):12665-74. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10504236 10504236]
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[[Category: Lubetsky JB]]
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[[Category: Protein complex]]
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[[Category: Sachpatzidis A]]
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[[Category: Salmonella typhimurium]]
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[[Category: Tryptophan synthase]]
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[[Category: Anderson, K S.]]
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[[Category: Dealwis, C.]]
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[[Category: Liang, P H.]]
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[[Category: Lolis, E.]]
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[[Category: Lubetsky, J B.]]
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[[Category: Sachpatzidis, A.]]
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[[Category: NA]]
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[[Category: NHP]]
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[[Category: PLP]]
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[[Category: 8-fold alpha-beta barrel]]
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[[Category: enzyme-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:30:04 2008''
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Current revision

CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID

PDB ID 1cx9

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