1cw2: Difference between revisions

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New page: left|200px<br /><applet load="1cw2" size="450" color="white" frame="true" align="right" spinBox="true" caption="1cw2, resolution 2.0Å" /> '''CRYSTAL STRUCTURE OF ...
 
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[[Image:1cw2.gif|left|200px]]<br /><applet load="1cw2" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1cw2, resolution 2.0&Aring;" />
'''CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID'''<br />


==Overview==
==CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID==
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.
<StructureSection load='1cw2' size='340' side='right'caption='[[1cw2]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1cw2]] 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=1CW2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CW2 FirstGlance]. <br>
</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&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HSP:4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC+ACID'>HSP</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene></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=1cw2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1cw2 OCA], [https://pdbe.org/1cw2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1cw2 RCSB], [https://www.ebi.ac.uk/pdbsum/1cw2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1cw2 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/TRPA_SALTY TRPA_SALTY] The alpha subunit is responsible for the aldol cleavage of indoleglycerol phosphate to indole and glyceraldehyde 3-phosphate.
== 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/cw/1cw2_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=1cw2 ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1CW2 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Salmonella_typhimurium Salmonella typhimurium] with NA, PLP and HSP as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1CW2 OCA].
*[[Tryptophan synthase 3D structures|Tryptophan synthase 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
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://ispc.weizmann.ac.il//pmbin/getpm?pmid=10504236 10504236]
[[Category: Large Structures]]
[[Category: Protein complex]]
[[Category: Salmonella enterica subsp. enterica serovar Typhimurium]]
[[Category: Salmonella typhimurium]]
[[Category: Anderson KS]]
[[Category: Tryptophan synthase]]
[[Category: Dealwis C]]
[[Category: Anderson, K.S.]]
[[Category: Liang PH]]
[[Category: Dealwis, C.]]
[[Category: Lolis E]]
[[Category: Liang, P.H.]]
[[Category: Lubetsky JB]]
[[Category: Lolis, E.]]
[[Category: Sachpatzidis A]]
[[Category: Lubetsky, J.B.]]
[[Category: Sachpatzidis, A.]]
[[Category: HSP]]
[[Category: NA]]
[[Category: PLP]]
[[Category: 8-fold alpha-beta barrel]]
[[Category: enzyme-inhibitor complex]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 12:47:52 2007''

Latest revision as of 16:22, 13 March 2024

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

Structural highlights

1cw2 is a 2 chain structure with sequence from Salmonella enterica subsp. enterica serovar Typhimurium. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

TRPA_SALTY The alpha subunit is responsible for the aldol cleavage of indoleglycerol phosphate to indole and glyceraldehyde 3-phosphate.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1cw2, resolution 2.00Å

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