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==Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors==
==Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors==
<StructureSection load='1s17' size='340' side='right' caption='[[1s17]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
<StructureSection load='1s17' size='340' side='right'caption='[[1s17]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1s17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1S17 FirstGlance]. <br>
<table><tr><td colspan='2'>[[1s17]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S17 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1S17 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GNR:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE'>GNR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1n5n|1n5n]], [[1ix1|1ix1]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GNR:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE'>GNR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DEF, PA0019 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</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=1s17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s17 OCA], [https://pdbe.org/1s17 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1s17 RCSB], [https://www.ebi.ac.uk/pdbsum/1s17 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1s17 ProSAT]</span></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1s17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s17 OCA], [http://pdbe.org/1s17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1s17 RCSB], [http://www.ebi.ac.uk/pdbsum/1s17 PDBsum]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/DEF_PSEAE DEF_PSEAE]] Removes the formyl group from the N-terminal Met of newly synthesized proteins. Requires at least a dipeptide for an efficient rate of reaction. N-terminal L-methionine is a prerequisite for activity but the enzyme has broad specificity at other positions (By similarity).  
[https://www.uniprot.org/uniprot/DEF_PSEAE DEF_PSEAE] Removes the formyl group from the N-terminal Met of newly synthesized proteins. Requires at least a dipeptide for an efficient rate of reaction. N-terminal L-methionine is a prerequisite for activity but the enzyme has broad specificity at other positions (By similarity).
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
   <jmolCheckbox>
   <jmolCheckbox>
     <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/s1/1s17_consurf.spt"</scriptWhenChecked>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/s1/1s17_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
     <text>to colour the structure by Evolutionary Conservation</text>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Peptide deformylase]]
[[Category: Large Structures]]
[[Category: Bursulaya, B]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Goldberg, R]]
[[Category: Bursulaya B]]
[[Category: Gordon, P]]
[[Category: Goldberg R]]
[[Category: He, X]]
[[Category: Gordon P]]
[[Category: He, Y]]
[[Category: He X]]
[[Category: Kreusch, A]]
[[Category: He Y]]
[[Category: Molteni, V]]
[[Category: Kreusch A]]
[[Category: Nabakka, J]]
[[Category: Molteni V]]
[[Category: Ryder, N S]]
[[Category: Nabakka J]]
[[Category: Yang, K]]
[[Category: Ryder NS]]
[[Category: Antibiotic]]
[[Category: Yang K]]
[[Category: Hydrolase]]
[[Category: Peptide deformylase inhibitor]]
[[Category: Protein-ligand complex]]
[[Category: Rational drug design]]

Latest revision as of 06:11, 23 August 2023

Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors

1s17, resolution 1.95Å

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