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Ligand · TP0

TP0 · Amitriptyline

TP0, Amitriptyline (C20 H23 N, 277.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 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
TP0
Formula
C20 H23 N
Class
ligand
Structures
5
PDB entries
3

Binding sites

TP0 in 5 structures; the first of them:

  • 3APV · Crystal structure of the A variant of human alpha1-acid glycoprotein and amitriptyline… · TP0 A190 · binds PHE32, TYR37, VAL41, PHE49, PHE51, LEU62, GLU64, LEU79 and 11 more
  • 5HA9 · Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that… · TP0 B406 · binds GLU102, ASP109, HIS201, GLY202, SER203, ASN207, ILE211, LEU216 and 5 more
  • 8Y93 · Structure of NET-Amitriptyline in outward-open state · TP0 A701 · binds PHE72, ASP75, ALA145, VAL148, GLY149, TYR152, PHE317, SER318 and 9 more
  • 3APV · Crystal structure of the a variant of human ALPHA1-acid glycoprotein and amitriptyline… · TP0 A190 · binds PHE32, TYR37, VAL41, PHE49, PHE51, LEU62, GLU64, LEU79 and 11 more
  • 5HA9 · Crystal structure-based design and disovery of a novel PARP1 antiagonist (bl-PA10) that… · TP0 B406 · binds GLU102, ASP109, HIS201, GLY202, SER203, ASN207, ILE211, LEU216 and 5 more

Residues it binds most

PHE 7, SER 7, VAL 5, TYR 7, LEU 7, GLU 6, ALA 5, ARG 6, HIS 6, GLY 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACY · Acetic acid
  • GOL · Glycerol
  • NA · Sodium ion
  • CL · Chloride ion

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