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4aaw

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[[Image:4aaw.png|left|200px]]
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==S.pneumoniae GlmU in complex with an antibacterial inhibitor==
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<StructureSection load='4aaw' size='340' side='right' caption='[[4aaw]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4aaw]] 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=4AAW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AAW 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=R84:4-{[1-(2-{[({5-[(3-CARBOXYPROPANOYL)AMINO]-2,4-DIMETHOXYPHENYL}SULFONYL)AMINO]METHYL}PHENYL)PIPERIDIN-4-YL]METHOXY}-4-OXOBUTANOIC+ACID'>R84</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4aa7|4aa7]]</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=4aaw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aaw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4aaw RCSB], [http://www.ebi.ac.uk/pdbsum/4aaw PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://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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{{STRUCTURE_4aaw| PDB=4aaw | SCENE= }}
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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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===S.pneumoniae GlmU in complex with an antibacterial inhibitor===
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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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{{ABSTRACT_PUBMED_22297115}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[4aaw]] 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=4AAW OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:022297115</ref><references group="xtra"/>
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[[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, D J]]
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[[Category: Otterbein, L.]]
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[[Category: Otterbein, L]]
[[Category: Transferase]]
[[Category: Transferase]]
[[Category: Transferase inhibitor complex]]
[[Category: Transferase inhibitor complex]]

Revision as of 12:08, 25 December 2014

S.pneumoniae GlmU in complex with an antibacterial inhibitor

4aaw, resolution 2.20Å

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