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Ligand · AGG

AGG · Tirofiban

AGG, Tirofiban (C22 H36 N2 O5 S, 440.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
AGG
Formula
C22 H36 N2 O5 S
Class
ligand
Structures
4
PDB entries
3

Binding sites

AGG in 4 structures; the first of them:

  • 2VDM · Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Tirofiban · AGG B1462 · binds ASP159, PHE160, SER161, TYR189, TYR190, LEU192, ASP224, SER225 and 11 more
  • 7TD8 · Integrin alpha IIB beta3 complex with Tirofiban · AGG B2005 · binds ASP159, PHE160, SER161, TYR189, TYR190, LEU192, ASP224, SER225 and 11 more
  • 9DER · Cryo-EM Structures of Full-Length Integrin alphaIIbbeta3 in Native Lipids Complexed with… · AGG B2004 · binds ASP159, PHE160, SER161, TRP162, TYR189, TYR190, LEU192, ASP224 and 12 more
  • 2VDM · Re-refinement of integrin ALPHAIIBBETA3 headpiece bound to antagonist tirofiban · AGG B1462 · binds ASP159, PHE160, SER161, TYR189, TYR190, LEU192, ASP224, SER225 and 11 more

Residues it binds most

SER 5, TYR 5, ASP 5, ARG 5, PHE 5, ALA 5, ASN 5, GLU 5, LEU 5, TRP 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • GOL · Glycerol
  • SO4 · Sulfate ion

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