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Ligand · 0WV

0WV · 2-methyl-5-(prop-1-en-2-yl)phenol

0WV, 2-methyl-5-(prop-1-en-2-yl)phenol (C10 H12 O, 148.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
0WV
Formula
C10 H12 O
Class
ligand
Structures
8
PDB entries
4

Binding sites

0WV in 8 structures; the first of them:

  • 4GBU · OYE1-W116A in complex with aromatic product of S-carvone dismutation · 0WV A402 · binds THR37, GLY72, PHE74, TYR82, ALA85, ALA116, LEU118, HIS191 and 6 more
  • 4GXM · OYE1-W116L in complex with aromatic product of R-carvone dismutation · 0WV A414 · binds THR37, GLN114, LEU116, HIS191, ASN194, TYR196, PHE250, PRO295 and 2 more
  • 4H4I · OYE1-W116V complexed with the dismutation product of (S)-carvone · 0WV A402 · binds THR37, MET39, GLY72, TYR82, VAL116, LEU118, HIS191, ASN194 and 5 more
  • 4K8E · OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation · 0WV A404 · binds THR37, MET39, GLY72, TYR82, VAL116, HIS191, ASN194, TYR196 and 4 more
  • 4GBU · OYE1-W116A in complex with aromatic product of S-carvone dismutation · 0WV A402 · binds THR37, GLY72, PHE74, TYR82, ALA85, ALA116, LEU118, HIS191 and 6 more
  • 4GXM · OYE1-W116L in complex with aromatic product of R-carvone dismutation · 0WV A414 · binds THR37, GLN114, LEU116, HIS191, ASN194, TYR196, PHE250, PRO295 and 2 more
  • 4H4I · OYE1-W116V complexed with the dismutation product of (S)-carvone · 0WV A402 · binds THR37, MET39, GLY72, TYR82, VAL116, LEU118, HIS191, ASN194 and 5 more
  • 4K8E · OYE1-W116V complexed with the aromatic product of (R)-carvone dismutation · 0WV A404 · binds THR37, MET39, GLY72, TYR82, VAL116, HIS191, ASN194, TYR196 and 4 more

Residues it binds most

TYR 8, PHE 8, ASN 8, HIS 8, PRO 8, THR 8, GLY 6, LEU 6, ALA 2, MET 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • MG · Magnesium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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