5n4t: Difference between revisions

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'''Unreleased structure'''


The entry 5n4t is ON HOLD  until Paper Publication
==VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)==
<StructureSection load='5n4t' size='340' side='right'caption='[[5n4t]], [[Resolution|resolution]] 1.16&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5n4t]] 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=5N4T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5N4T 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]] 1.16&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=R59:(2~{S})-3-(1~{H}-INDOL-3-YL)-2-[[(2~{S})-2-METHYL-3-SULFANYL-PROPANOYL]AMINO]PROPANOIC+ACID'>R59</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=5n4t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n4t OCA], [https://pdbe.org/5n4t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5n4t RCSB], [https://www.ebi.ac.uk/pdbsum/5n4t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5n4t ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9K2N0_PSEAI Q9K2N0_PSEAI]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Crystallographic analyses of the VIM-5 metallo-beta-lactamase (MBL) with isoquinoline inhibitors reveal non zinc ion binding modes. Comparison with other MBL-inhibitor structures directed addition of a zinc-binding thiol enabling identification of potent B1 MBL inhibitors. The inhibitors potentiate meropenem activity against clinical isolates harboring MBLs.


Authors: Li, G-B., Brem, J., McDonough, M.A., Schofield, C.J.
Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.,Li GB, Brem J, Lesniak R, Abboud MI, Lohans CT, Clifton IJ, Yang SY, Jimenez-Castellanos JC, Avison MB, Spencer J, McDonough MA, Schofield CJ Chem Commun (Camb). 2017 May 4. doi: 10.1039/c7cc02394d. PMID:28470248<ref>PMID:28470248</ref>


Description: VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Brem, J]]
<div class="pdbe-citations 5n4t" style="background-color:#fffaf0;"></div>
[[Category: Mcdonough, M.A]]
 
[[Category: Li, G-B]]
==See Also==
[[Category: Schofield, C.J]]
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Brem J]]
[[Category: Li G-B]]
[[Category: McDonough MA]]
[[Category: Schofield CJ]]

Latest revision as of 21:02, 8 November 2023

VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)

Structural highlights

5n4t is a 2 chain structure with sequence from Pseudomonas aeruginosa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.16Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9K2N0_PSEAI

Publication Abstract from PubMed

Crystallographic analyses of the VIM-5 metallo-beta-lactamase (MBL) with isoquinoline inhibitors reveal non zinc ion binding modes. Comparison with other MBL-inhibitor structures directed addition of a zinc-binding thiol enabling identification of potent B1 MBL inhibitors. The inhibitors potentiate meropenem activity against clinical isolates harboring MBLs.

Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.,Li GB, Brem J, Lesniak R, Abboud MI, Lohans CT, Clifton IJ, Yang SY, Jimenez-Castellanos JC, Avison MB, Spencer J, McDonough MA, Schofield CJ Chem Commun (Camb). 2017 May 4. doi: 10.1039/c7cc02394d. PMID:28470248[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Li GB, Brem J, Lesniak R, Abboud MI, Lohans CT, Clifton IJ, Yang SY, Jimenez-Castellanos JC, Avison MB, Spencer J, McDonough MA, Schofield CJ. Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem Commun (Camb). 2017 May 4. doi: 10.1039/c7cc02394d. PMID:28470248 doi:http://dx.doi.org/10.1039/c7cc02394d

5n4t, resolution 1.16Å

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