5lca: Difference between revisions

From Proteopedia
Jump to navigation Jump to search
← Older edit
No edit summary
No edit summary
 
Line 3: Line 3:
<StructureSection load='5lca' size='340' side='right'caption='[[5lca]], [[Resolution|resolution]] 1.93&Aring;' scene=''>
<StructureSection load='5lca' size='340' side='right'caption='[[5lca]], [[Resolution|resolution]] 1.93&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5lca]] is a 1 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=5LCA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LCA FirstGlance]. <br>
<table><tr><td colspan='2'>[[5lca]] is a 1 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=5LCA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LCA FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B06:3-OXIDANYLIDENE-2-[3-(TRIFLUOROMETHYL)PHENYL]-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>B06</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.93&#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=B06:3-OXIDANYLIDENE-2-[3-(TRIFLUOROMETHYL)PHENYL]-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>B06</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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://proteopedia.org/fgij/fg.htm?mol=5lca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lca OCA], [http://pdbe.org/5lca PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lca RCSB], [http://www.ebi.ac.uk/pdbsum/5lca PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lca 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=5lca FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lca OCA], [https://pdbe.org/5lca PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lca RCSB], [https://www.ebi.ac.uk/pdbsum/5lca PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lca 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 ==
Line 25: Line 27:
</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 11:56, 11 October 2023

VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17)VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17)

Structural highlights

5lca is a 1 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 1.93Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9K2N0_PSEAI

Publication Abstract from PubMed

There are no clinically useful inhibitors of metallo-beta-lactamases (MBLs), which are a growing problem because they hydrolyse almost all beta-lactam antibacterials. Inhibition by most reported MBL inhibitors involves zinc ion chelation. A structure-based virtual screening approach combined with NMR filtering led to the identification of inhibitors of the clinically relevant Verona Integron-encoded MBL (VIM)-2. Crystallographic analyses reveal a new mode of MBL inhibition involving binding adjacent to the active site zinc ions, but which does not involve metal chelation. The results will aid efforts to develop new types of clinically useful inhibitors targeting MBLs/MBL-fold metallo-enzymes involved in antibacterial and anticancer drug resistance.

NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.,Li GB, Abboud MI, Brem J, Someya H, Lohans CT, Yang SY, Spencer J, Wareham DW, McDonough MA, Schofield CJ Chem Sci. 2017 Feb 1;8(2):928-937. doi: 10.1039/c6sc04524c. Epub 2016 Dec 14. PMID:28451231[1]

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

See Also

References

  1. ↑ Li GB, Abboud MI, Brem J, Someya H, Lohans CT, Yang SY, Spencer J, Wareham DW, McDonough MA, Schofield CJ. NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci. 2017 Feb 1;8(2):928-937. doi: 10.1039/c6sc04524c. Epub 2016 Dec 14. PMID:28451231 doi:http://dx.doi.org/10.1039/c6sc04524c

5lca, resolution 1.93Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA
Retrieved from "https://proteopedia.openfox.io/wiki/index.php?title=5lca&oldid=3908134"