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Ligand · XYD

XYD · 2,5-dimethylaniline

XYD, 2,5-dimethylaniline (C8 H11 N, 121.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
XYD
Formula
C8 H11 N
Class
ligand
Structures
4
PDB entries
2

Binding sites

XYD in 4 structures; the first of them:

  • 1KYA · Active laccase from trametes versicolor complexed with 2,5-xylidine · XYD A514 · binds PHE162, LEU164, ASP206, PHE265, PHE332, PHE337, PRO391, GLY392 and 2 more
  • 1L4L · Crystal Structure of CobT complexed with 2,5-dimethylaniline and nicotinate mononucleotide · XYD A990 · binds SER80, VAL84, GLN88, LEU175, MET177, LEU315, GLU317
  • 1KYA · Active laccase from trametes versicolor complexed with 2,5-xylidine · XYD A514 · binds PHE162, LEU164, ASP206, PHE265, PHE332, PHE337, PRO391, GLY392 and 2 more
  • 1L4L · Crystal structure of cobt complexed with 2,5-dimethylaniline and nicotinate mononucleotide · XYD A990 · binds SER80, VAL84, GLN88, LEU175, MET177, LEU315, GLU317

Residues it binds most

PHE 8, LEU 10, ASP 8, GLY 8, HIS 8, PRO 8, ILE 6, GLN 2, GLU 2, MET 2 (residue and the binding sites it lines).

Found with

  • NCN · Nicotinate mononucleotide
  • PYE · Tetrahydropyran
  • CU · Copper (II) ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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