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Ligand · 112

112 · Thiophosphoric acid O-((adenosyl-phospho)phospho)-S-acetamidyl-diester

112, Thiophosphoric acid O-((adenosyl-phospho)phospho)-S-acetamidyl-diester (C12 H19 N6 O13 P3 S, 580.3 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…

Component
112
Formula
C12 H19 N6 O13 P3 S
Class
ligand
Structures
10
PDB entries
5

Binding sites

112 in 10 structures; the first of them:

  • 1GAG · Crystal structure of the insulin receptor kinase in complex with a bisubstrate inhibitor · 112 B101 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, VAL1010, ALA1028, LYS1030 and 15 more
  • 1RQQ · Crystal Structure of the Insulin Receptor Kinase in Complex with the SH2 Domain of APS · 112 E117 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, VAL1010, ALA1028, LYS1030 and 14 more
  • 2G1T · A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain · 112 E1101 · binds LEU248, GLY249, GLY250, GLY251, GLN252, TYR253, GLY254, VAL256 and 16 more
  • 2G2F · A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain · 112 C201 · binds LEU248, GLY249, GLY250, GLY251, GLN252, TYR253, GLY254, VAL256 and 14 more
  • 2GS6 · Crystal Structure of the active EGFR kinase domain in complex with an ATP analog-peptide… · 112 B101 · binds LEU694, ALA698, PHE699, VAL702, ALA719, LYS721, THR766, GLN767 and 11 more
  • 1GAG · Crystal structure of the insulin receptor kinase in complex with a bisubstrate inhibitor · 112 B101 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, VAL1010, ALA1028, LYS1030 and 15 more
  • 1RQQ · Crystal structure of the insulin receptor kinase in complex with the SH2 domain of aps · 112 E117 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, VAL1010, ALA1028, LYS1030 and 14 more
  • 2G1T · A src-like inactive conformation in the abl tyrosine kinase domain · 112 E1101 · binds LEU248, GLY249, GLY250, GLY251, GLN252, TYR253, GLY254, VAL256 and 16 more
  • 2G2F · A src-like inactive conformation in the abl tyrosine kinase domain · 112 C201 · binds LEU248, GLY249, GLY250, GLY251, GLN252, TYR253, GLY254, VAL256 and 14 more
  • 2GS6 · Crystal structure of the active EGFR kinase domain in complex with an ATP analog-peptide… · 112 B101 · binds LEU694, ALA698, PHE699, VAL702, ALA719, LYS721, THR766, GLN767 and 11 more

Residues it binds most

GLY 18, ASP 18, LEU 18, VAL 18, MET 18, ASN 18, PHE 18, ALA 18, ARG 18, GLN 18 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • AGS · Phosphothiophosphoric acid-adenylate ester
  • MN · Manganese (II) ion
  • CL · Chloride ion

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