Crystal structure of N132A mutant of tem-1 beta-lactamase in complex with a N-formimidoyl-thienamycine

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Ligands and binding sites

• IM2 · (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid · ligand · chains A
• K · Potassium ion · metal · 5 copies · 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, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

• 1JVJ · Crystal structure of N132A mutant of tem-1 beta-lactamase in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P62593 · AlphaFold monomer V2.0 prediction for beta-lactamase tem (P62593) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P62593
• Elsewhere: RCSB PDB 1JVJ · PDBe 1JVJ · UniProt P62593