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Ligand · XFE

XFE · (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

XFE, (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (C11 H15 N5, 217.3 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…

Component
XFE
Formula
C11 H15 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

XFE in 4 structures; the first of them:

  • 3MV5 · Crystal structure of Akt-1-inhibitor complexes · XFE A999 · binds LEU156, GLY157, VAL164, ALA177, THR211, MET227, GLU228, TYR229 and 7 more
  • 3MVJ · Human cyclic AMP-dependent protein kinase PKA inhibitor complex · XFE A351 · binds LEU49, GLY50, VAL57, ALA70, VAL104, MET120, GLU121, TYR122 and 8 more
  • 3MV5 · Crystal structure of AKT-1-inhibitor complexes · XFE A999 · binds LEU156, GLY157, VAL164, ALA177, THR211, MET227, GLU228, TYR229 and 7 more
  • 3MVJ · Human cyclic AMP-dependent protein kinase PKA inhibitor complex · XFE A351 · binds LEU49, GLY50, VAL57, ALA70, VAL104, MET120, GLU121, TYR122 and 8 more

Residues it binds most

GLU 6, VAL 6, LEU 6, ALA 6, MET 6, THR 6, GLY 6, PHE 6, TYR 6, ARG 4 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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