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Ligand · S1E

S1E · N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1, 2]oxaborole-6-carboxamide

S1E, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1, 2]oxaborole-6-carboxamide (C22 H20 B N O3, 357.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
S1E
Formula
C22 H20 B N O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

S1E in 1 structure; the first of them:

  • 7AU9 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) · S1E A602 · binds SER294, LYS297, ARG331, VAL333, SER349, ASN351, TYR407, TYR409 and 6 more
  • 7AU9 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 14) · S1E A602 · binds SER294, LYS297, VAL333, SER349, ASN351, TYR407, TYR409, LYS484 and 4 more

Residues it binds most

SER 2, LYS 2, TYR 2, ARG 1, ASN 2, GLY 2, PHE 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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