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Ligand · KEU

KEU · N-{4-[(1R)-4-[(2R,4R,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-D-glutamic acid

KEU, N-{4-[(1R)-4-[(2R,4R,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-D-glutamic acid (C22 H30 F3 N5 O8, 549.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…

Component
KEU
Formula
C22 H30 F3 N5 O8
Class
ligand
Structures
6
PDB entries
3

Binding sites

KEU in 6 structures; the first of them:

  • 1NJS · human GAR Tfase in complex with hydrolyzed form of… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more
  • 1RBQ · Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-te… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more
  • 1RBY · Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-te… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more
  • 1NJS · Human gar tfase in complex with hydrolyzed form of 10… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more
  • 1RBQ · Human gar tfase complex structure with 10-(trifluoroacetyl)… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more
  • 1RBY · Human gar tfase complex structure with 10-(trifluoroacetyl)… · KEU A510 · binds ARG64, LEU85, PHE88, MET89, ARG90, ILE91, LEU92, VAL97 and 13 more

Residues it binds most

VAL 20, LEU 20, ARG 20, ASP 20, HIS 20, ILE 20, GLU 20, ALA 20, ASN 20, GLY 20 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • GAR · Glycinamide ribonucleotide

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