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Ligand · IPB

IPB · 5-methyl-2-(1-methylethyl)phenol

IPB, 5-methyl-2-(1-methylethyl)phenol (C10 H14 O, 150.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
IPB
Formula
C10 H14 O
Class
ligand
Structures
4
PDB entries
4

Binding sites

IPB in 4 structures; the first of them:

  • 1E06 · Porcine Odorant Binding Protein Complexed with 5-methyl-2-(1-methylethyl)phenol · IPB A600 · binds ILE21, PHE35, VAL37, MET39, PHE55, VAL80, ASN86, ILE100 and 1 more
  • 7SJF · Structure of Dehaloperoxidase B in Complex with Thymol · IPB A203 · binds PHE21, LEU25, PHE35, TYR38, LYS51, PHE52, GLY53, HIS55 and 2 more
  • 7T9C · Crystal structure of dehaloperoxidase B in complex with thymol · IPB A207 · binds PHE21, PHE35, TYR38, LYS51, PHE52, ASP54, HIS55, THR56 and 1 more
  • 8BXV · Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with… · IPB AAA204 · binds ALA51, THR56, ILE63, THR68, ILE88, CYS91, ARG92, THR105 and 4 more

Residues it binds most

PHE 7, THR 5, VAL 6, ILE 3, TYR 5, ASN 2, HIS 4, LYS 4, ASP 2, GLY 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • NA · Sodium ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • PEG · Di(hydroxyethyl)ether
  • PGR · R-1,2-propanediol

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