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Ligand · S08

S08 · 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid

S08, 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid (C18 H17 B N2 O6, 368.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
S08
Formula
C18 H17 B N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

S08 in 2 structures; the first of them:

  • 7AU1 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) · S08 A604 · binds SER294, LYS297, ARG331, ASP332, VAL333, ARG335, SER349, ASN351 and 8 more
  • 7AU1 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 12) · S08 A604 · binds SER294, LYS297, ARG331, ASP332, VAL333, ARG335, SER349, ASN351 and 7 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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