Crystal structure of ampc beta-lactamase from E. COLI in complex with oxacillin

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Ligands and binding sites

• 1S6 · (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid · ligand · 2 copies · chains B, A
• GLC · alpha-D-glucopyranose · sugar · chains B
• FRU · beta-D-fructofuranose · ion · chains B
• PO4 · Phosphate ion · ion · chains A

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• B–A · 814 Ų buried · 1 hydrogen bond · protein-protein

Modifications

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

Compared structures

• 4JXG · Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Oxacillin · the same entry in another collection · chain A against A, 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 4JXG · PDBe 4JXG · UniProt P00811