GL1X · GenesisL1 explorer

Ligand · S0Q

S0Q · 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid

S0Q, 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid (C17 H20 B N3 O7, 389.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
S0Q
Formula
C17 H20 B N3 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

S0Q in 2 structures; the first of them:

  • 7AU8 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) · S0Q A601 · binds SER294, LYS297, TYR328, ARG331, VAL333, SER349, ASN351, TYR407 and 9 more
  • 7AU8 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 13) · S0Q A601 · binds SER294, LYS297, TYR328, VAL333, SER349, ASN351, TYR407, TYR409 and 8 more

Residues it binds most

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

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