6c4c
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 6c4c is ON HOLD Authors: Kreitler, D.F., Ray, S., Murkin, A.S., Gulick, A.M. Description: Crystal structure of 3-nitropropionate modified isocitrat...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate== | |
| + | <StructureSection load='6c4c' size='340' side='right'caption='[[6c4c]], [[Resolution|resolution]] 2.20Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6c4c]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_str._Erdman_=_ATCC_35801 Mycobacterium tuberculosis str. Erdman = ATCC 35801]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6C4C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6C4C 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]] 2.2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3NP:3-NITROPROPANOIC+ACID'>3NP</scene>, <scene name='pdbligand=EJA:S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine'>EJA</scene>, <scene name='pdbligand=GLV:GLYOXYLIC+ACID'>GLV</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PYR:PYRUVIC+ACID'>PYR</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=6c4c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6c4c OCA], [https://pdbe.org/6c4c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6c4c RCSB], [https://www.ebi.ac.uk/pdbsum/6c4c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6c4c ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/ACEA_MYCTU ACEA_MYCTU] Catalyzes the formation of succinate and glyoxylate from isocitrate, a key step of the glyoxylate cycle. May be involved in the assimilation of one-carbon compounds via the isocitrate lyase-positive serine pathway (By similarity). | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report the unprecedented reaction between a nitroalkane and an active-site cysteine residue to yield a thiohydroximate adduct. Structural and kinetic evidence suggests the nitro group is activated by conversion to its nitronic acid tautomer within the active site. The nitro group, therefore, shows promise as a masked electrophile in the design of covalent inhibitors targeting binding pockets with appropriately placed cysteine and general acid residues. | ||
| - | + | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.,Ray S, Kreitler DF, Gulick AM, Murkin AS ACS Chem Biol. 2018 May 23. doi: 10.1021/acschembio.8b00225. PMID:29782144<ref>PMID:29782144</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6c4c" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | == References == |
| - | [[Category: | + | <references/> |
| - | [[Category: Ray | + | __TOC__ |
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Mycobacterium tuberculosis str. Erdman = ATCC 35801]] | ||
| + | [[Category: Gulick AM]] | ||
| + | [[Category: Kreitler DF]] | ||
| + | [[Category: Murkin AS]] | ||
| + | [[Category: Ray S]] | ||
Current revision
Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate
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