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Ligand · N9U

N9U · Roxifiban

N9U, Roxifiban (C20 H27 N5 O6, 433.5 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
N9U
Formula
C20 H27 N5 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

N9U in 2 structures; the first of them:

  • 7UH8 · Integrin alpha IIB beta3 complex with roxifiban (Mn/Ca) · N9U B2005 · binds PHE160, TYR189, TYR190, LEU192, ASP224, SER225, PHE231, SER121 and 9 more
  • 7UH8 · Integrin ALAPHIIBBETA3 complex with roxifiban (MN/CA) · N9U B2005 · binds PHE160, TYR189, TYR190, LEU192, ASP224, SER225, PHE231, SER121 and 9 more

Residues it binds most

TYR 4, SER 4, ARG 4, ASP 4, PHE 4, ALA 4, ASN 4, GLU 4, LEU 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MN · Manganese (II) ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion

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