6r73: Difference between revisions

From Proteopedia
Jump to navigationJump to search
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,615 edits
New page: '''Unreleased structure''' The entry 6r73 is ON HOLD Authors: Softley, C.A., Zak, K., Kolonko, M., Sattler, M., Popowicz, G. Description: Structure of IMP-13 metallo-beta-lactamase com...
 
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,615 edits
No edit summary
 
(6 intermediate revisions by the same user not shown)
Line 1: Line 1:
'''Unreleased structure'''


The entry 6r73 is ON HOLD
==Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem==
<StructureSection load='6r73' size='340' side='right'caption='[[6r73]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6r73]] 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=6R73 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6R73 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]] 2.3&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LMP:(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-BIS(OXIDANYL)-1-OXIDANYLIDENE-BUTAN-2-YL]-4-[(3~{S},5~{S})-5-(DIMETHYLCARBAMOYL)PYRROLIDIN-3-YL]SULFANYL-3-METHYL-3,4-DIHYDRO-2~{H}-PYRROLE-5-CARBOXYLIC+ACID'>LMP</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=6r73 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r73 OCA], [https://pdbe.org/6r73 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r73 RCSB], [https://www.ebi.ac.uk/pdbsum/6r73 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r73 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q7WYA8_PSEAI Q7WYA8_PSEAI]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Multi-drug resistance among Gram-negative bacteria is a major global public health threat. Metallo-beta-lactamases (MBLs) target the most widely-used antibiotic class, the beta-lactams, including the most recent-generation carbapenems. Interspecies spread renders these enzymes a serious clinical threat and there are no clinically-available inhibitors. We present crystal structures of IMP-13, a structurally-uncharacterized MBL from Gram-negative Pseudomonas aerugionasa found in clinical outbreaks globally, and characterize the binding using solution NMR-spectroscopy and molecular-dynamics simulations. Crystal structures of apo IMP-13 and bound to four clinically-relevant carbapenem antibiotics (doripenem, ertapenem, imipenem and meropenem) are presented. Active site plasticity and the active-site loop, where a tryptophan residue stabilizes the antibiotic core scaffold, are essential to the substrate-binding mechanism. The conserved carbapenem scaffold plays the most significant role in IMP-13 binding, explaining the broad substrate specificity. The observed plasticity and substrate-locking mechanism provide opportunities for rational drug design of novel metallo-beta-lactamase inhibitors, essential in the fight against antibiotic resistance.


Authors: Softley, C.A., Zak, K., Kolonko, M., Sattler, M., Popowicz, G.
Structure and molecular recognition mechanism of IMP-13 metallo-beta-lactamase.,Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, Mejdi-Nitiu R, Meyer H, Sattler M, Popowicz GM Antimicrob Agents Chemother. 2020 Mar 23. pii: AAC.00123-20. doi:, 10.1128/AAC.00123-20. PMID:32205343<ref>PMID:32205343</ref>


Description: Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Kolonko, M]]
<div class="pdbe-citations 6r73" style="background-color:#fffaf0;"></div>
[[Category: Zak, K]]
 
[[Category: Softley, C.A]]
==See Also==
[[Category: Popowicz, G]]
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
[[Category: Sattler, M]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Kolonko M]]
[[Category: Popowicz G]]
[[Category: Sattler M]]
[[Category: Softley CA]]
[[Category: Zak K]]
Retrieved from "https://proteopedia.org/6r73"