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Ligand · MG8

MG8 · N-octanoyl-N-methylglucamine

MG8, N-octanoyl-N-methylglucamine (C15 H31 N O6, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
MG8
Formula
C15 H31 N O6
Class
ligand
Structures
10
PDB entries
5

Binding sites

MG8 in 10 structures; the first of them:

  • 1Q61 · PKA triple mutant model of PKB · MG8 A500 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, TYR156, TYR306
  • 1Q8U · The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase… · MG8 A960 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, ILE303, TYR306
  • 1SMH · Protein kinase A variant complex with completely ordered N-terminal helix · MG8 A1000 · binds SER14, VAL15, PHE18, PHE100, LEU152, GLU155, TYR156, ILE303 and 1 more
  • 1SVE · Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 · MG8 A901 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, TYR306
  • 4C34 · PKA-S6K1 Chimera with Staurosporine bound · MG8 A1353 · binds PHE18, LEU19, PHE100, LEU152, GLU155, TYR156, TYR306
  • 1Q61 · PKA triple mutant model of pkb · MG8 A500 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, TYR156, TYR306
  • 1Q8U · The catalytic subunit of camp-dependent protein kinase in complex with rho-kinase… · MG8 A960 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, ILE303, TYR306
  • 1SMH · Protein kinase a variant complex with completely ordered N-terminal helix · MG8 A1000 · binds SER14, VAL15, PHE18, PHE100, LEU152, GLU155, TYR156, ILE303 and 1 more
  • 1SVE · Crystal structure of protein kinase a in complex with azepane derivative 1 · MG8 A901 · binds VAL15, PHE18, LEU19, PHE100, LEU152, GLU155, TYR306
  • 4C34 · PKA-S6K1 chimera with staurosporine bound · MG8 A1353 · binds PHE18, LEU19, PHE100, LEU152, GLU155, TYR156, TYR306

Residues it binds most

PHE 10, LEU 10, TYR 10, GLU 10, VAL 8, ILE 4, SER 2 (residue and the binding sites it lines).

Found with

  • H52 · (S)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
  • I01 · (4R)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3R)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester
  • STU · Staurosporine
  • NA · Sodium ion
  • BU3 · (R,R)-2,3-butanediol
  • GOL · Glycerol

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