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Ligand · 64X

64X · 5-bromo-L-tryptophan

64X, 5-bromo-L-tryptophan (C11 H11 Br N2 O2, 283.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
64X
Formula
C11 H11 Br N2 O2
Class
ligand
Structures
4
PDB entries
4

Binding sites

64X in 4 structures; the first of them:

  • 8CJF · AetF, a single-component flavin-dependent tryptophan halogenase, in complex with… · 64X A702 · binds LEU183, LEU196, LEU199, GLU200, LEU215, MET216, VAL220, PHE372 and 6 more
  • 8JI4 · Crystal structure of AetD in complex with 5-bromo-L-tryptophan · 64X A302 · binds PHE44, ALA45, PHE48, HIS79, LEU116, MET139, GLU140, ALA142 and 8 more
  • 8JI5 · Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ · 64X A303 · binds ILE41, PHE44, PHE48, HIS79, LEU116, MET139, GLU140, GLY143 and 7 more
  • 8JZ4 · Crystal structure of AetF in complex with FAD and 5-bromo-L-tryptophan · 64X A702 · binds LEU183, LEU196, LEU199, GLU200, LEU215, MET216, VAL220, PHE372 and 6 more

Residues it binds most

PHE 7, LEU 7, GLU 7, HIS 4, MET 7, ILE 4, GLY 4, TYR 4, ALA 2, ASP 3 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FE2 · Fe (II) ion
  • NI · Nickel (II) ion
  • CL · Chloride ion
  • PEG · Di(hydroxyethyl)ether
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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