Crystal structure of the vim-2 acquired metallo-beta-lactamase in complex with jmv-4690 (cpd 31)

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).

Ligands and binding sites

• PJB · 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid · ligand · chains A
• ZN · Zinc ion · metal · 3 copies · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A
• ACT · Acetate ion · additive · 2 copies · chains A
• DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 6YRP · Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt B8QIQ9
• Elsewhere: RCSB PDB 6YRP · PDBe 6YRP · UniProt B8QIQ9