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Ligand · J69

J69 · methyl 2-methylprop-2-enoate

J69, methyl 2-methylprop-2-enoate (C5 H8 O2, 100.1 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 with…

Component
J69
Formula
C5 H8 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

J69 in 4 structures; the first of them:

  • 7EJI · Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl… · J69 B303 · binds SER143, ILE144, GLU145, TYR156, PRO190, PHE206
  • 7EJJ · Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex · J69 A301 · binds SER143, ILE144, GLU145, TYR156, PRO188, LEU195, VAL196
  • 7EJI · Crystal structure of kred F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl… · J69 B303 · binds SER143, ILE144, GLU145, TYR156, PRO190, PHE206
  • 7EJJ · Crystal structure of kred F147L/L153Q/Y190P variant and methyl methacrylate complex · J69 A301 · binds SER143, ILE144, GLU145, TYR156

Residues it binds most

ILE 12, SER 12, TYR 12, GLU 11, LEU 6, PRO 4, GLY 2, MET 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • MG · Magnesium ion
  • J66 · 2-oxidanylisoindole-1,3-dione
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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