Crystal structure of tla-1 extended spectrum beta-lactamase in complex with clavulanic acid

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).

Ligands and binding sites

• J01 · (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid · ligand · 2 copies · chains A
• TEM · N-(2-hydroxy-4-oxo-butyl)-N-(3-oxo-transpropenyl)amine · ligand · chains A
• L4A · 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid · ligand · chains A
• NA · Sodium ion · metal · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• SO4 · Sulfate ion · ion · chains A
• ACT · Acetate ion · additive · 3 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

• 6NVU · Crystal structure of TLA-1 extended spectrum Beta-lactamase in complex with Clavulanic… · 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 Q9X6W1
• Elsewhere: RCSB PDB 6NVU · PDBe 6NVU · UniProt Q9X6W1