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Ligand · JW8

JW8 · {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid

JW8, {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid (C9 H12 B N O4 S, 241.1 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 residues it binds most and…

Component
JW8
Formula
C9 H12 B N O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

JW8 in 1 structure; the first of them:

  • 5TG5 · Oxa-24/40 in complex with boronic acid BA8 · JW8 A301 · binds ALA80, SER81, KCX84, THR111, TYR112, TRP115, SER128, VAL130 and 4 more

Residues it binds most

SER 2, TRP 2, GLY 2, LEU 2, MET 2, TYR 2, ALA 1, ARG 1, KCX 1, THR 1 (residue and the binding sites it lines).

Found with

  • BCT · Bicarbonate ion
  • MEE · Methanethiol
  • SO4 · Sulfate ion

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