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Ligand · NDU

NDU · 2'-deoxy-5-nitrouridine 5'-monophosphate

NDU, 2'-deoxy-5-nitrouridine 5'-monophosphate (C9 H14 N3 O10 P, 355.2 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
NDU
Formula
C9 H14 N3 O10 P
Class
ligand
Structures
12
PDB entries
6

Binding sites

NDU in 12 structures; the first of them:

  • 2VF0 · Crystal structure of the thymidylate synthase K48Q complexed with 5NO2DUMP and BW1843U89 · NDU A1265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 10 more
  • 3B5B · Crystal structure of the thymidylate synthase k48q · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 10 more
  • 3B9H · E. coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more
  • 3BFI · E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP · NDU A266 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more
  • 3BHL · E.coli thymidylate synthase complexes with 5-NO2dUMP and tetrahydrofolate at 1.4 A… · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 9 more
  • 3BHR · E. coli TS complexed with 5-NO2dUMP and tetrahydrofolate at 1.9 A resolution (space group… · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more
  • 2VF0 · Crystal structure of the thymidylate synthase K48Q complexed with 5NO2DUMP and BW1843U89 · NDU A1265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 10 more
  • 3B5B · Crystal structure of the thymidylate synthase K48Q · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 10 more
  • 3B9H · E. COLI thymidylate synthase complexed with 5-nitro-2'-deoxy uridine · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more
  • 3BFI · E. COLI thymidylate synthase Y209M mutant complexed with 5-nitro-dump · NDU A266 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more
  • 3BHL · E.COLI thymidylate synthase complexes with 5-NO2DUMP and tetrahydrofolate at 1.4 a… · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 9 more
  • 3BHR · E. COLI ts complexed with 5-NO2DUMP and tetrahydrofolate at 1.9 a resolution (space group… · NDU A265 · binds ARG21, TRP80, TYR94, LEU143, CYS146, HIS147, GLN165, ARG166 and 7 more

Residues it binds most

ARG 16, CYS 16, HIS 16, TYR 16, LEU 16, ASN 16, ASP 16, GLN 16, GLY 16, SER 16 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • THG · (6S)-5,6,7,8-tetrahydrofolate
  • PO4 · Phosphate ion
  • F89 · S)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
  • NDN · 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
  • FMT · Formic acid

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