4ac3

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[[Image:4ac3.png|left|200px]]
 
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{{STRUCTURE_4ac3| PDB=4ac3 | SCENE= }}
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==S.pneumoniae GlmU in complex with an antibacterial inhibitor==
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<StructureSection load='4ac3' size='340' side='right'caption='[[4ac3]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4ac3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AC3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AC3 FirstGlance]. <br>
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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]] 2.1&#8491;</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=R83:N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)SULFAMOYL]PHENYL}ACETAMIDE'>R83</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=4ac3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ac3 OCA], [https://pdbe.org/4ac3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ac3 RCSB], [https://www.ebi.ac.uk/pdbsum/4ac3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ac3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/GLMU_STRR6 GLMU_STRR6] Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-N-acetylglucosamine (UDP-GlcNAc). The C-terminal domain catalyzes the transfer of acetyl group from acetyl coenzyme A to glucosamine-1-phosphate (GlcN-1-P) to produce N-acetylglucosamine-1-phosphate (GlcNAc-1-P), which is converted into UDP-GlcNAc by the transfer of uridine 5-monophosphate (from uridine 5-triphosphate), a reaction catalyzed by the N-terminal domain (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A novel arylsulfonamide-containing series of compounds represented by 1, discovered by highthroughput screening, inhibit the acetyltransferase domain of N-acetylglucosamine-1-phosphate-uridyltransferase/glucosamine-1-phosphate-acetylt ransferase (GlmU). X-ray structure determination confirmed that inhibitor binds at the site occupied by acetyl-CoA, indicating that series is competitive with this substrate. This letter documents our early hit-to-lead evaluation of the chemical series and some of the findings that led to improvement in in-vitro potency against Gram-negative and Gram-positive bacterial isozymes, exemplified by compound 40.
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===S.pneumoniae GlmU in complex with an antibacterial inhibitor===
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Inhibitors of acetyltransferase domain of N-acetylglucosamine-1-phosphate-uridyltransferase/glucosamine-1-phosphate-acetylt ransferase (GlmU). Part 1: Hit to lead evaluation of a novel arylsulfonamide series.,Green OM, McKenzie AR, Shapiro AB, Otterbein L, Ni H, Patten A, Stokes S, Albert R, Kawatkar S, Breed J Bioorg Med Chem Lett. 2012 Feb 15;22(4):1510-9. Epub 2012 Jan 14. PMID:22297115<ref>PMID:22297115</ref>
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{{ABSTRACT_PUBMED_22297115}}
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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 4ac3" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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[[4ac3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptococcus_pneumoniae Streptococcus pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AC3 OCA].
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*[[N-acetylglucosamine-1-phosphate uridyltransferase|N-acetylglucosamine-1-phosphate uridyltransferase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:022297115</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Streptococcus pneumoniae]]
[[Category: Streptococcus pneumoniae]]
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[[Category: Breed, J.]]
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[[Category: Breed J]]
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[[Category: Ogg, D J.]]
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[[Category: Ogg DJ]]
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[[Category: Otterbein, L.]]
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[[Category: Otterbein L]]
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[[Category: Acetyl transferase]]
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[[Category: Transferase]]
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[[Category: Transferase-inhibitor complex]]
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Current revision

S.pneumoniae GlmU in complex with an antibacterial inhibitor

PDB ID 4ac3

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