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Ligand · 4DW

4DW · N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid

4DW, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid (C20 H19 N5 O6, 425.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
4DW
Formula
C20 H19 N5 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

4DW in 2 structures; the first of them:

  • 6QVL · Human SHMT2 in complex with pemetrexed · 4DW B602 · binds LEU166, LEU172, LYS181, ILE183, SER226, ARG425, GLU98, TYR105 and 3 more
  • 6QVL · Human SHMT2 in complex with pemetrexed · 4DW B602 · binds LEU166, LEU172, LYS181, ILE183, SER226, ARG425, GLU98, TYR105 and 3 more

Residues it binds most

LEU 2, TYR 2, ARG 2, GLU 2, ILE 2, LYS 2, PHE 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • CA · Calcium ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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