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Ligand · U1E

U1E · ~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine

U1E, ~{N}1,~{N}1,~{N}8,~{N}8-tetramethylnaphthalene-1,8-diamine (C14 H18 N2, 214.3 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…

Component
U1E
Formula
C14 H18 N2
Class
ligand
Structures
4
PDB entries
2

Binding sites

U1E in 4 structures; the first of them:

  • 7BKW · Endothiapepsin structure obtained at 100K with fragment BTB09871 bound · U1E A1101 · binds LEU13, ASP15, VAL248, PHE280, GLY281, PRO282, ILE283, PHE291
  • 7BKY · Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset… · U1E A401 · binds LEU13, ASP15, THR223, LEU224, VAL248, PHE280, GLY281, PRO282 and 2 more
  • 7BKW · Endothiapepsin structure obtained at 100K with fragment BTB09871 bound · U1E A1101 · binds ASP15, VAL248, PHE280, ILE283, PHE291
  • 7BKY · Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset… · U1E A401 · binds LEU13, ASP15, PHE280, ILE283, PHE291

Residues it binds most

PHE 4, ASP 4, ILE 4, LEU 3, VAL 3, GLY 2, PRO 2, THR 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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