4bgi
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| - | {{STRUCTURE_4bgi| PDB=4bgi | SCENE= }} | ||
| - | ===Crystal structure of InhA(S94A) mutant in complex with OH-141=== | ||
| - | {{ABSTRACT_PUBMED_24292073}} | ||
| - | == | + | ==Crystal structure of InhA(S94A) mutant in complex with OH-141== |
| - | [[4bgi]] is a 6 chain structure with sequence from [ | + | <StructureSection load='4bgi' size='340' side='right'caption='[[4bgi]], [[Resolution|resolution]] 2.09Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4bgi]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BGI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BGI 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]] 2.09Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=I4I:3-HYDROXY-N-[(2R,5R,6S,9S,10S,11R)-10-HYDROXY-5,11-DIMETHYL-3,7,12-TRIOXO-2-(PROPAN-2-YL)-9-(PYRIDIN-3-YLMETHYL)-1,4-DIOXA-8-AZACYCLODODECAN-6-YL]PYRIDINE-2-CARBOXAMIDE'>I4I</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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=4bgi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bgi OCA], [https://pdbe.org/4bgi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bgi RCSB], [https://www.ebi.ac.uk/pdbsum/4bgi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bgi ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/INHA_MYCTU INHA_MYCTU] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Pyridomycin, a natural product with potent antituberculosis activity, inhibits a major drug target, the InhA enoyl reductase. Here, we unveil the co-crystal structure and unique ability of pyridomycin to block both the NADH cofactor- and lipid substrate-binding pockets of InhA. This is to our knowledge a first-of-a-kind binding mode that discloses a new means of InhA inhibition. Proof-of-principle studies show how structure-assisted drug design can improve the activity of new pyridomycin derivatives. | ||
| - | + | Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA.,Hartkoorn RC, Pojer F, Read JA, Gingell H, Neres J, Horlacher OP, Altmann KH, Cole ST Nat Chem Biol. 2013 Dec 1. doi: 10.1038/nchembio.1405. PMID:24292073<ref>PMID:24292073</ref> | |
| - | <ref | + | |
| - | [[ | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 4bgi" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | |
| - | [[Category: | + | ==See Also== |
| - | [[Category: | + | *[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]] |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Mycobacterium tuberculosis H37Rv]] | ||
| + | [[Category: Cole ST]] | ||
| + | [[Category: Hartkoorn RC]] | ||
| + | [[Category: Pojer F]] | ||
Current revision
Crystal structure of InhA(S94A) mutant in complex with OH-141
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