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Ligand · BHR

BHR · 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid

BHR, 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid (C20 H24 N2 O7, 404.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
BHR
Formula
C20 H24 N2 O7
Class
ligand
Structures
4
PDB entries
2

Binding sites

BHR in 4 structures; the first of them:

  • 3MW0 · X-ray structure of the doubly hydroxylated iron complex-NikA species, NikA1/O2 · BHR A504 · binds TYR22, THR23, MET27, TRP100, ARG137, TRP398, TYR402, HIS416 and 1 more
  • 3MZB · X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2 · BHR A520 · binds TYR22, THR23, MET27, ARG97, TRP100, ARG137, TRP398, TYR402 and 2 more
  • 3MW0 · X-ray structure of the doubly hydroxylated iron complex-nika species, NIKA1/O2 · BHR A504 · binds TYR22, THR23, MET27, TRP100, ARG137, TRP398, TYR402, HIS416 and 1 more
  • 3MZB · X-ray structure of nika in complex with the doubly hydroxylated iron complex, 1-O2 · BHR A520 · binds TYR22, THR23, MET27, ARG97, TRP100, ARG137, TRP398, TYR402 and 2 more

Residues it binds most

THR 8, TRP 8, TYR 8, ARG 8, MET 8, HIS 6 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • DTD · Dithiane diol
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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