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PDBsum entry 5n4t
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PDB id:
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Hydrolase
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Title:
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Vim-2 metallo-beta-lactamase in complex with ((s)-3-mercapto-2- methylpropanoyl)-l-tryptophan (compound 4)
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Structure:
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Beta-lactamase vim-2. Chain: a, b. Synonym: class b beta-lactamase,class b carbapenemase vim-2,metallo beta lactamase vim-2,metallo beta-lactamase,metallo-beta-lactamase, metallo-beta-lactamase vim-2,metallo-beta-lactamase vim-2,vim-2 metallo-beta-lactamase,vim-2 protein. Engineered: yes
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Source:
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Pseudomonas aeruginosa. Organism_taxid: 287. Gene: 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. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: plyss.
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Resolution:
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1.16Å
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R-factor:
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0.176
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R-free:
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0.196
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Authors:
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G.-B.Li,J.Brem,M.A.Mcdonough,C.J.Schofield
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Key ref:
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G.B.Li
et al.
(2017).
Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-β-lactamase inhibition.
Chem Commun (Camb),
53,
5806-5809.
PubMed id:
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Date:
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11-Feb-17
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Release date:
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17-May-17
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PROCHECK
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Headers
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References
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Q9K2N0
(Q9K2N0_PSEAI) -
Beta-lactamase class B VIM-2 from Pseudomonas aeruginosa
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Seq:
Struc:
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266 a.a.
234 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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Chem Commun (Camb)
53:5806-5809
(2017)
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PubMed id:
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Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-β-lactamase inhibition.
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G.B.Li,
J.Brem,
R.Lesniak,
M.I.Abboud,
C.T.Lohans,
I.J.Clifton,
S.Y.Yang,
J.C.Jiménez-Castellanos,
M.B.Avison,
J.Spencer,
M.A.McDonough,
C.J.Schofield.
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ABSTRACT
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Crystallographic analyses of the VIM-5 metallo-β-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.
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