3sgt

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<StructureSection load='3sgt' size='340' side='right'caption='[[3sgt]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
<StructureSection load='3sgt' size='340' side='right'caption='[[3sgt]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SGT FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_O6 Escherichia coli O6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SGT FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
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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]] 1.85&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</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=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ditrans,polycis-undecaprenyl-diphosphate_synthase_((2E,6E)-farnesyl-_diphosphate_specific) Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl- diphosphate specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </span></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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [https://pdbe.org/3sgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [https://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt ProSAT]</span></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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [https://pdbe.org/3sgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [https://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6]] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]
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[https://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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With the rise in resistance to antibiotics such as methicillin, there is a need for new drugs. We report here the discovery and X-ray crystallographic structures of 10 chemically diverse compounds (benzoic, diketo, and phosphonic acids, as well as a bisamidine and a bisamine) that inhibit bacterial undecaprenyl diphosphate synthase, an essential enzyme involved in cell wall biosynthesis. The inhibitors bind to one or more of the four undecaprenyl diphosphate synthase inhibitor binding sites identified previously, with the most active leads binding to site 4, outside the catalytic center. The most potent leads are active against Staphylococcus aureus [minimal inhibitory concentration (MIC)(90) approximately 0.25 microg/mL], and one potently synergizes with methicillin (fractional inhibitory concentration index = 0.25) and is protective in a mouse infection model. These results provide numerous leads for antibacterial development and open up the possibility of restoring sensitivity to drugs such as methicillin, using combination therapies.
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Antibacterial drug leads targeting isoprenoid biosynthesis.,Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. , Epub 2012 Dec 17. PMID:23248302<ref>PMID:23248302</ref>
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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 3sgt" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Undecaprenyl pyrophosphate synthase|Undecaprenyl pyrophosphate synthase]]
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*[[Undecaprenyl pyrophosphate synthase 3D structures|Undecaprenyl pyrophosphate synthase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Escherichia coli o6]]
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[[Category: Escherichia coli O6]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Cao, R]]
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[[Category: Cao R]]
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[[Category: Liu, Y L]]
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[[Category: Liu Y-L]]
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[[Category: Oldfield, E]]
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[[Category: Oldfield E]]
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[[Category: Alpha/beta]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299

PDB ID 3sgt

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OCA

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