Ligand · 105
105 · N-[5-methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
105, N-[5-methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid (C12 H12 B Cl N2 O4, 294.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…
- Component
- 105
- Formula
- C12 H12 B Cl N2 O4
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
105 in 6 structures; the first of them:
- 1FSY · Ampc beta-lactamase from E. COLI complexed with inhibitor cloxacillinboronic acid · 105 A964 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 8 more
- 1JWZ · Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105) · 105 A300 · binds MET69, SER70, LYS73, TYR105, SER130, ASN132, GLU166, LYS234 and 6 more
- 1NYY · Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid… · 105 A300 · binds MET69, SER70, LYS73, GLU104, TYR105, MET129, SER130, ASN132 and 8 more
- 1FSY · Ampc beta-lactamase from E. COLI complexed with inhibitor cloxacillinboronic acid · 105 A964 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL211 and 8 more
- 1JWZ · Crystal structure of tem-64 beta-lactamase in complex with a boronic acid inhibitor (105) · 105 A300 · binds MET69, SER70, LYS73, TYR105, SER130, ASN132, GLU166, LYS234 and 6 more
- 1NYY · Crystal structure of the complex between M182T mutant of tem-1 and a boronic acid… · 105 A300 · binds MET69, SER70, LYS73, GLU104, TYR105, MET129, SER130, ASN132 and 8 more
Residues it binds most
ASN 8, GLY 8, SER 8, LYS 8, TYR 8, MET 4, ALA 8, LEU 4, GLU 4, VAL 6 (residue and the binding sites it lines).
Found with
- PO4 · Phosphate ion
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