Crystal structure of the complex between M182T mutant of tem-1 and a boronic acid inhibitor (nbf)

Structure

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

Ligands and binding sites

• NBF · [(2-ethoxy-1-naphthoyl)amino]methylboronic acid · ligand · chains A
• K · Potassium ion · metal · chains A
• PO4 · Phosphate ion · ion · 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

• 1NY0 · Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid… · 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 1NY0 · PDBe 1NY0 · UniProt P62593