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Ligand · W4M

W4M · (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol

W4M, (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol (C23 H27 N5 O3 S, 453.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
W4M
Formula
C23 H27 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

W4M in 2 structures; the first of them:

  • 7K99 · Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 · W4M A402 · binds LEU18, HIS19, MET62, SER63, THR75, GLU77, HIS78, ILE102 and 15 more
  • 7K99 · Crystal structure of P. aeruginosa lpxc with N-hydroxyformamide inhibitor 19 · W4M A402 · binds LEU18, HIS19, MET62, SER63, THR75, GLU77, HIS78, ILE102 and 15 more

Residues it binds most

HIS 4, LEU 4, ALA 4, GLY 4, ILE 4, SER 4, THR 4, VAL 4, ARG 4, ASP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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