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Ligand · VFE

VFE · 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide

VFE, 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide (C20 H20 Cl N5 O2 S, 429.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
VFE
Formula
C20 H20 Cl N5 O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

VFE in 6 structures; the first of them:

  • 7OJ6 · Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 · VFE A301 · binds LEU112, MET114, ILE130, VAL132, ASN133, SER150, GLY151, MET169 and 5 more
  • 7OJP · Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 · VFE A1001 · binds LEU112, MET114, ILE130, VAL132, ASN133, ILE148, SER150, GLY151 and 12 more
  • 7OKC · Crystal structure of Escherichia coli LpxA in complex with compound 1 · VFE A1001 · binds MET118, ILE134, ALA136, ASN137, ILE152, GLY154, GLY155, MET156 and 4 more
  • 7OJ6 · Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 1 · VFE A301 · binds LEU112, MET114, ILE130, VAL132, ASN133, SER150, GLY151, MET169 and 5 more
  • 7OJP · Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 1 · VFE A1001 · binds ILE130, VAL132, ASN133, SER150, GLY151, MET169, PRO69, ASP70 and 6 more

Residues it binds most

ALA 66, LEU 66, MET 68, ILE 68, HIS 65, GLY 68, ASN 68, VAL 67, GLN 66, SER 66 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion

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