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4dti

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==Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH==
==Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH==
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<StructureSection load='4dti' size='340' side='right' caption='[[4dti]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='4dti' size='340' side='right'caption='[[4dti]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4dti]] is a 1 chain structure with sequence from [http://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=4DTI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DTI FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4dti]] 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=4DTI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DTI FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</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]] 1.9&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4dqu|4dqu]], [[4dre|4dre]]</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=NAI:1,4-DIHYDRONICOTINAMIDE+ADENINE+DINUCLEOTIDE'>NAI</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">inhA, MT1531, MTCY277.05, Rv1484 ([http://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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4dti FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dti OCA], [https://pdbe.org/4dti PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dti RCSB], [https://www.ebi.ac.uk/pdbsum/4dti PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dti ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>
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<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=4dti FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dti OCA], [http://pdbe.org/4dti PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4dti RCSB], [http://www.ebi.ac.uk/pdbsum/4dti PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4dti ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/INHA_MYCTU INHA_MYCTU]
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Tuberculosis, a global threat to public health, is becoming untreatable due to widespread drug resistance to frontline drugs such as the InhA-inhibitor isoniazid. Historically, by inhibiting highly vulnerable targets, natural products have been an important source of antibiotics including potent anti-tuberculosis agents. Here, we describe pyridomycin, a compound produced by Dactylosporangium fulvum with specific cidal activity against mycobacteria. By selecting pyridomycin-resistant mutants of Mycobacterium tuberculosis, whole-genome sequencing and genetic validation, we identified the NADH-dependent enoyl- (Acyl-Carrier-Protein) reductase InhA as the principal target and demonstrate that pyridomycin inhibits mycolic acid synthesis in M. tuberculosis. Furthermore, biochemical and structural studies show that pyridomycin inhibits InhA directly as a competitive inhibitor of the NADH-binding site, thereby identifying a new, druggable pocket in InhA. Importantly, the most frequently encountered isoniazid-resistant clinical isolates remain fully susceptible to pyridomycin, thus opening new avenues for drug development. --&gt;See accompanying article http://dx.doi.org/10.1002/emmm.201201811.
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Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.,Hartkoorn RC, Sala C, Neres J, Pojer F, Magnet S, Mukherjee R, Uplekar S, Boy-Rottger S, Altmann KH, Cole ST EMBO Mol Med. 2012 Sep 17. doi: 10.1002/emmm.201201689. PMID:22987724<ref>PMID:22987724</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 4dti" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Enoyl-Acyl-Carrier Protein Reductase|Enoyl-Acyl-Carrier Protein Reductase]]
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*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Boy, S]]
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[[Category: Large Structures]]
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[[Category: Cole, S T]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Hartkoorn, R C]]
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[[Category: Boy S]]
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[[Category: Pojer, F]]
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[[Category: Cole ST]]
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[[Category: Enoyl-acp reductase]]
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[[Category: Hartkoorn RC]]
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[[Category: Oxidoreductase]]
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[[Category: Pojer F]]

Current revision

Mycobacterium tuberculosis InhA-S94A mutant in complex with NADH

PDB ID 4dti

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