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Ligand · 4TJ

4TJ · 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate

4TJ, 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate…

Component
4TJ
Formula
C50 H66 N8 O12 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4TJ in 2 structures; the first of them:

  • 5BMF · Crystal Structure of a Theophylline binding antibody Fab fragment · 4TJ H1201 · binds ALA197, ASN199, TRP212, TYR251, ARG253, TRP351, ASP353, PHE397 and 7 more
  • 5BMF · Crystal structure of a theophylline binding antibody Fab fragment · 4TJ H1201 · binds ALA197, ASN199, TRP212, TYR251, ARG253, TRP351, ASP353, PHE397 and 7 more

Residues it binds most

TYR 2, TRP 2, ALA 2, ARG 2, ASN 2, ASP 2, GLY 2, PHE 2, THR 2 (residue and the binding sites it lines).

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