Crystal structure of the complex between Q120L/Y150E mutant of ampc and a beta-lactam inhibitor (mxg)

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).

Ligands and binding sites

• MXG · 2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid · ligand · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 665 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 1O07 · Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam… · the same entry in another collection · chain B against B, TM-score 1.00
• P00811 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00811) · a predicted model of the same protein · chain B against A, TM-score 1.00
• 1L2S · X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with a… · a predicted model of the same protein · chain B against B, TM-score 1.00
• 1L2S · X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a… · a predicted model of the same protein · chain B against B, 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 P00811
• Elsewhere: RCSB PDB 1O07 · PDBe 1O07 · UniProt P00811