5n4s: Difference between revisions

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<StructureSection load='5n4s' size='340' side='right'caption='[[5n4s]], [[Resolution|resolution]] 1.20&Aring;' scene=''>
<StructureSection load='5n4s' size='340' side='right'caption='[[5n4s]], [[Resolution|resolution]] 1.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5n4s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5N4S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5N4S FirstGlance]. <br>
<table><tr><td colspan='2'>[[5n4s]] 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=5N4S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5N4S FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=R38:(2~{R})-3-(1~{H}-INDOL-3-YL)-2-[[(2~{S})-2-METHYL-3-SULFANYL-PROPANOYL]AMINO]PROPANOIC+ACID'>R38</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.2&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">blaVIM-2, bla vim-2, bla-VIM-2, blasVIM-2, blaVIM2, blm, VIM-2, vim-2, PAERUG_P32_London_17_VIM_2_10_11_06255 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=R38:(2~{R})-3-(1~{H}-INDOL-3-YL)-2-[[(2~{S})-2-METHYL-3-SULFANYL-PROPANOYL]AMINO]PROPANOIC+ACID'>R38</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5n4s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n4s OCA], [http://pdbe.org/5n4s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n4s RCSB], [http://www.ebi.ac.uk/pdbsum/5n4s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n4s 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=5n4s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n4s OCA], [https://pdbe.org/5n4s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5n4s RCSB], [https://www.ebi.ac.uk/pdbsum/5n4s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5n4s ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9K2N0_PSEAI Q9K2N0_PSEAI]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Brem, J]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Li, G B]]
[[Category: Brem J]]
[[Category: McDonough, M A]]
[[Category: Li G-B]]
[[Category: Schofield, C J]]
[[Category: McDonough MA]]
[[Category: Antibiotic resistance]]
[[Category: Schofield CJ]]
[[Category: Complex]]
[[Category: Hydrolase]]
[[Category: Inhibitor]]
[[Category: Metallo-beta-lactamase]]

Latest revision as of 21:02, 8 November 2023

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

Structural highlights

5n4s 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 1.2Å
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

5n4s, resolution 1.20Å

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OCA
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