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Ligand · S1B

S1B · 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one

S1B, 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one (C15 H19 B N2 O4, 302.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
S1B
Formula
C15 H19 B N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

S1B in 2 structures; the first of them:

  • 7ATX · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) · S1B A601 · binds SER294, LYS297, ARG331, VAL333, SER349, ASN351, TYR409, LYS484 and 2 more
  • 7ATX · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 4) · S1B A601 · binds SER294, LYS297, ARG331, VAL333, SER349, ASN351, TYR409, LYS484 and 2 more

Residues it binds most

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

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