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Ligand · BRU

BRU · 5-bromo-2'-deoxyuridine-5'-monophosphate

BRU, 5-bromo-2'-deoxyuridine-5'-monophosphate (C9 H12 Br N2 O8 P, 387.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
BRU
Formula
C9 H12 Br N2 O8 P
Class
ligand
Structures
6
PDB entries
3

Binding sites

BRU in 6 structures; the first of them:

  • 1O27 · Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga… · BRU A603 · binds PHE77, GLU86, LEU87, SER88, GLY89, ARG90, TYR91, ARG147 and 4 more
  • 2AF6 · Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase… · BRU A4603 · binds HIS91, GLU92, ARG95, ARG199, ARG87, ILE94, GLN103, LEU104 and 5 more
  • 4P5B · Crystal structure of a UMP/dUMP methylase PolB from Streptomyces cacaoi bound with 5-Br… · BRU A302 · binds MET85, GLU94, GLU95, SER96, ALA97, ARG98, TYR99, ARG166 and 4 more
  • 1O27 · Crystal structure of thymidylate synthase complementing protein (TM0449) from thermotoga… · BRU A603 · binds PHE77, GLU86, LEU87, SER88, GLY89, ARG90, TYR91, ARG147 and 4 more
  • 2AF6 · Crystal structure of mycobacterium tuberculosis flavin dependent thymidylate synthase… · BRU A4603 · binds HIS91, GLU92, ARG95, ARG199, ARG87, ILE94, GLN103, LEU104 and 5 more
  • 4P5B · Crystal structure of a UMP/DUMP methylase polb from streptomyces cacaoi bound with 5-br… · BRU A302 · binds MET85, GLU94, GLU95, SER96, ALA97, ARG98, TYR99, ARG166 and 4 more

Residues it binds most

ARG 32, GLN 24, GLU 32, SER 32, TYR 30, HIS 24, LEU 24, ILE 16, ALA 8, GLY 8 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • IOD · Iodide ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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