1jje: Difference between revisions

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New page: left|200px<br /><applet load="1jje" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jje, resolution 1.80Å" /> '''IMP-1 METALLO BETA-L...
 
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[[Image:1jje.gif|left|200px]]<br /><applet load="1jje" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1jje, resolution 1.80&Aring;" />
'''IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)'''<br />


==Overview==
==IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)==
IMP-1 metallo-beta-lactamase (class B) is a plasmid-borne zinc, metalloenzyme that efficiently hydrolyzes beta-lactam antibiotics, including carbapenems, rendering them ineffective. Because IMP-1 has been, found in several clinically important carbapenem-resistant pathogens, there is a need for inhibitors of this enzyme that could protect broad, spectrum antibiotics such as imipenem from hydrolysis and thus extend, their utility. We have identified a series of 2,3-(S,S)-disubstituted, succinic acids that are potent inhibitors of IMP-1. Determination of high, resolution crystal structures and molecular modeling of succinic acid, inhibitor complexes with IMP-1 has allowed an understanding of the, potency, stereochemistry, and structure-activity relationships of these, inhibitors.
<StructureSection load='1jje' size='340' side='right'caption='[[1jje]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1jje]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JJE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JJE 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]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=BYS:2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC+ACID'>BYS</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=1jje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jje OCA], [https://pdbe.org/1jje PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jje RCSB], [https://www.ebi.ac.uk/pdbsum/1jje PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jje ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q79MP6_PSEAI Q79MP6_PSEAI]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jj/1jje_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1jje ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1JJE is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with ZN, ACT and BYS as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JJE OCA].
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase., Toney JH, Hammond GG, Fitzgerald PM, Sharma N, Balkovec JM, Rouen GP, Olson SH, Hammond ML, Greenlee ML, Gao YD, J Biol Chem. 2001 Aug 24;276(34):31913-8. Epub 2001 Jun 4. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11390410 11390410]
[[Category: Large Structures]]
[[Category: Beta-lactamase]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Single protein]]
[[Category: Fitzgerald PMD]]
[[Category: Fitzgerald, P.M.D.]]
[[Category: Sharma N]]
[[Category: Sharma, N.]]
[[Category: ACT]]
[[Category: BYS]]
[[Category: ZN]]
[[Category: imp-1 metallo-beta-lactamase]]
[[Category: metallo-beta-lactamase inhibitor]]
[[Category: succinic acid inhibitor]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:19:27 2007''

Latest revision as of 06:03, 3 April 2024

IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)

1jje, resolution 1.80Å

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