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Ligand · IBF

IBF · 1,2,3,4,5-pentafluoro-6-iodobenzene

IBF, 1,2,3,4,5-pentafluoro-6-iodobenzene (C6 F5 I, 294.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
IBF
Formula
C6 F5 I
Class
ligand
Structures
4
PDB entries
2

Binding sites

IBF in 4 structures; the first of them:

  • 3DN3 · Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant · IBF A900 · binds ILE78, LEU84, LYS85, VAL87, TYR88, LEU91, ALA99, MET102 and 5 more
  • 3DN8 · Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant… · IBF A900 · binds ILE78, LEU84, VAL87, TYR88, LEU91, ALA99, MSE102, VAL103 and 4 more
  • 3DN3 · Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant · IBF A900 · binds ILE78, LEU84, LYS85, VAL87, TYR88, LEU91, ALA99, MET102 and 5 more
  • 3DN8 · Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant… · IBF A900 · binds ILE78, LEU84, VAL87, TYR88, LEU91, ALA99, MSE102, VAL103 and 4 more

Residues it binds most

LEU 4, VAL 4, ALA 4, ILE 4, PHE 4, TYR 4, LYS 2, MET 2, MSE 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • HED · 2-hydroxyethyl disulfide
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol

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