2gqn: Difference between revisions

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-[[Image:2gqn.jpg|left|200px]]<br /><applet load="2gqn" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="2gqn, resolution 1.80&Aring;" />
-'''Cystathionine Beta-Lyase (CBL) from Escherichia Coli in complex with N-Hydrazinocarbonylmethyl-2-Nitro-Benzamide'''<br />
-==Overview==
+==Cystathionine Beta-Lyase (CBL) from Escherichia Coli in complex with N-Hydrazinocarbonylmethyl-2-Nitro-Benzamide==
-The biosynthesis of methionine is an attractive antibiotic target given, its importance in protein and DNA metabolism and its absence in mammals., We have performed a high-throughput screen of the methionine biosynthesis, enzyme cystathionine beta-lyase (CBL) against a library of 50 000 small, molecules and have identified several compounds that inhibit CBL enzyme, activity in vitro. These hit molecules were of two classes: those that, blocked CBL activity with mixed steady-state inhibition and those that, covalently interacted with the enzyme at the active site pyridoxal, phosphate cofactor with slow-binding inhibition kinetics. We determined, the crystal structure of one of the slow-binding inhibitors in complex, with CBL and used this structure as a guide in the synthesis of a small, focused library of analogues, some of which had improved enzyme inhibition, properties. These studies provide the first lead molecules for, antimicrobial agents that target cystathionine beta-lyase in methionine, biosynthesis.
+<StructureSection load='2gqn' size='340' side='right'caption='[[2gqn]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2gqn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GQN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GQN 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]] 1.8&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BLP:(5-HYDROXY-6-METHYL-4-((2-(2-(2-NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-3-YL)METHYL+DIHYDROGEN+PHOSPHATE'>BLP</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=2gqn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gqn OCA], [https://pdbe.org/2gqn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gqn RCSB], [https://www.ebi.ac.uk/pdbsum/2gqn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gqn ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/METC_ECOLI METC_ECOLI]
+== 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/gq/2gqn_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=2gqn ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-GQN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with BLP as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Cystathionine_beta-lyase Cystathionine beta-lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.8 4.4.1.8] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2GQN OCA].
+*[[Cystathionine beta-lyase|Cystathionine beta-lyase]]
+__TOC__
-==Reference==
+</StructureSection>
-Inhibitors of bacterial cystathionine beta-lyase: leads for new antimicrobial agents and probes of enzyme structure and function., Ejim LJ, Blanchard JE, Koteva KP, Sumerfield R, Elowe NH, Chechetto JD, Brown ED, Junop MS, Wright GD, J Med Chem. 2007 Feb 22;50(4):755-64. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17300162 17300162]
-[[Category: Cystathionine beta-lyase]]
 [[Category: Escherichia coli]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Junop, M.S.]]
+[[Category: Junop MS]]
-[[Category: Summerfield, R.]]
+[[Category: Summerfield R]]
-[[Category: BLP]]
-[[Category: plp cofactor covalently bount to blp inhibitor]]
-[[Category: protein-inhibitor complex]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 11:20:31 2007''