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Ligand · 2XB

2XB · N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid

2XB, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid (C19 H19 N5 O6, 413.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2XB
Formula
C19 H19 N5 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

2XB in 2 structures; the first of them:

  • 6OJV · Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and… · 2XB B601 · binds PHE80, ILE108, TRP109, ASN112, LEU192, ASP218, LEU221, GLY222 and 4 more
  • 6OJV · Crystal structure of human thymidylate synthase DELTA(7-29) in complex with dump and… · 2XB B601 · binds PHE80, ILE108, TRP109, ASN112, LEU192, ASP218, LEU221, GLY222 and 4 more

Residues it binds most

PHE 8, LEU 8, ALA 8, ASN 8, ASP 8, GLY 8, ILE 8, MET 8, TRP 8, TYR 8 (residue and the binding sites it lines).

Found with

  • UMP · 2'-deoxyuridine 5'-monophosphate

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