4aaw

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (11:23, 20 December 2023) (edit) (undo)
 
(4 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:4aaw.png|left|200px]]
 
-
{{STRUCTURE_4aaw| PDB=4aaw | SCENE= }}
+
==S.pneumoniae GlmU in complex with an antibacterial inhibitor==
 +
<StructureSection load='4aaw' size='340' side='right'caption='[[4aaw]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[4aaw]] 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=4AAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AAW 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]] 2.2&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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>
 +
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4aaw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aaw OCA], [https://pdbe.org/4aaw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aaw RCSB], [https://www.ebi.ac.uk/pdbsum/4aaw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aaw ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[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).
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
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.
-
===S.pneumoniae GlmU in complex with an antibacterial inhibitor===
+
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>
-
{{ABSTRACT_PUBMED_22297115}}
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 4aaw" style="background-color:#fffaf0;"></div>
-
==About this Structure==
+
==See Also==
-
[[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].
+
*[[N-acetylglucosamine-1-phosphate uridyltransferase|N-acetylglucosamine-1-phosphate uridyltransferase]]
-
 
+
== References ==
-
==Reference==
+
<references/>
-
<ref group="xtra">PMID:022297115</ref><references group="xtra"/>
+
__TOC__
 +
</StructureSection>
 +
[[Category: Large Structures]]
[[Category: Streptococcus pneumoniae]]
[[Category: Streptococcus pneumoniae]]
-
[[Category: Breed, J.]]
+
[[Category: Breed J]]
-
[[Category: Ogg, D J.]]
+
[[Category: Ogg DJ]]
-
[[Category: Otterbein, L.]]
+
[[Category: Otterbein L]]
-
[[Category: Transferase]]
+
-
[[Category: Transferase inhibitor complex]]
+

Current revision

S.pneumoniae GlmU in complex with an antibacterial inhibitor

PDB ID 4aaw

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4aaw"
Personal tools