3e3u

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Current revision (09:44, 21 February 2024) (edit) (undo)
 
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<StructureSection load='3e3u' size='340' side='right'caption='[[3e3u]], [[Resolution|resolution]] 1.56&Aring;' scene=''>
<StructureSection load='3e3u' size='340' side='right'caption='[[3e3u]], [[Resolution|resolution]] 1.56&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3e3u]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E3U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E3U FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3e3u]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E3U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E3U FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=NVC:N-[(2R)-2-{[(2S)-2-(1,3-BENZOXAZOL-2-YL)PYRROLIDIN-1-YL]CARBONYL}HEXYL]-N-HYDROXYFORMAMIDE'>NVC</scene></td></tr>
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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]] 1.56&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">def ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=NVC:N-[(2R)-2-{[(2S)-2-(1,3-BENZOXAZOL-2-YL)PYRROLIDIN-1-YL]CARBONYL}HEXYL]-N-HYDROXYFORMAMIDE'>NVC</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] </span></td></tr>
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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=3e3u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e3u OCA], [https://pdbe.org/3e3u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e3u RCSB], [https://www.ebi.ac.uk/pdbsum/3e3u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e3u ProSAT]</span></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=3e3u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e3u OCA], [https://pdbe.org/3e3u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e3u RCSB], [https://www.ebi.ac.uk/pdbsum/3e3u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e3u ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/DEF_MYCTU DEF_MYCTU]] 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).
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[https://www.uniprot.org/uniprot/DEF_MYCTU DEF_MYCTU] 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]]
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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=3e3u ConSurf].
</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=3e3u ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
 
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== Publication Abstract from PubMed ==
 
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Bacterial peptide deformylase (PDF) belongs to a subfamily of metalloproteases catalyzing the removal of the N-terminal formyl group from newly synthesized proteins. We report the synthesis and biological activity of highly potent inhibitors of Mycobacterium tuberculosis (Mtb) PDF enzyme as well as the first X-ray crystal structure of Mtb PDF. Structure-activity relationship and crystallographic data clarified the structural requirements for high enzyme potency and cell based potency. Activities against single and multi-drug-resistant Mtb strains are also reported.
 
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Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.,Pichota A, Duraiswamy J, Yin Z, Keller TH, Alam J, Liung S, Lee G, Ding M, Wang G, Chan WL, Schreiber M, Ma I, Beer D, Ngew X, Mukherjee K, Nanjundappa M, Teo JW, Thayalan P, Yap A, Dick T, Meng W, Xu M, Koehn J, Pan SH, Clark K, Xie X, Shoen C, Cynamon M Bioorg Med Chem Lett. 2008 Dec 15;18(24):6568-72. Epub 2008 Oct 14. PMID:19008098<ref>PMID:19008098</ref>
 
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
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</div>
 
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<div class="pdbe-citations 3e3u" style="background-color:#fffaf0;"></div>
 
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Peptide deformylase]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Koehn, J]]
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[[Category: Koehn J]]
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[[Category: Meng, W]]
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[[Category: Meng W]]
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[[Category: Pan, S]]
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[[Category: Pan S]]
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[[Category: Xu, M]]
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[[Category: Xu M]]
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[[Category: Hydrolase]]
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[[Category: Iron]]
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[[Category: Metal-binding]]
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[[Category: Metallo-enzyme]]
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[[Category: Protein biosynthesis]]
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Current revision

Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor

PDB ID 3e3u

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