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Ligand · 37T

37T · Theobromine

37T, Theobromine (C7 H8 N4 O2, 180.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
37T
Formula
C7 H8 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

37T in 2 structures; the first of them:

  • 6ICQ · Pseudomonas putida CBB5 NdmA QL mutant with theobromine · 37T A402 · binds PHE168, LEU248, PHE281, GLN282, VAL285
  • 6ICQ · Pseudomonas putida CBB5 ndma ql mutant with theobromine · 37T A402 · binds PHE168, LEU248, PHE281, GLN282, VAL285

Residues it binds most

PHE 6, GLN 6, LEU 6, VAL 6 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • FE · Fe (III) ion

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