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Ligand · DDU

DDU · 2'-5'dideoxyuridine

DDU, 2'-5'dideoxyuridine (C9 H12 N2 O4, 212.2 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 it binds most and the ligands found with it.

Component
DDU
Formula
C9 H12 N2 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

DDU in 4 structures; the first of them:

  • 1AOB · E. COLI thymidylate synthase complexed with ddurd · DDU A301 · binds CYS146, HIS147, GLN165, SER167, CYS168, ASP169, GLY173, LEU174 and 3 more
  • 1DDU · E. COLI thymidylate synthase in complex with CB3717 and 2',5'-dideoxyuridine (ddurd) · DDU A532 · binds ARG21, TYR94, LEU143, CYS146, HIS147, GLN165, SER167, CYS168 and 7 more
  • 1AOB · E. COLI thymidylate synthase complexed with ddurd · DDU A301 · binds CYS146, HIS147, GLN165, SER167, CYS168, ASP169, GLY173, LEU174 and 3 more
  • 1DDU · E. COLI thymidylate synthase in complex with CB3717 and 2', 5'-dideoxyuridine (ddurd) · DDU A532 · binds ARG21, TYR94, LEU143, CYS146, HIS147, GLN165, SER167, CYS168 and 7 more

Residues it binds most

CYS 6, HIS 6, TYR 6, ARG 4, ASN 6, ASP 6, GLN 6, GLY 6, LEU 4, SER 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • FMT · Formic acid
  • CB3 · 10-propargyl-5,8-dideazafolic acid

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