Back to LineShapeKin Simulation Tutorial

U-R-RL-RM-RLM
Binding of two ligands at the non-mutually exclusive binding sites coupled with intramolecular isomerization of the receptor (allosterically linked binding sites).

U-R-RL-RM-RLM_model.pdf

This is the model where two ligands can bind to the receptor at different sites. The sites may be independent or interacting and binding of the either of the ligand may differently affect isomerization of the receptor.

NOTE 1:
I only have time to test whether the model is operational. I plan to do detailed study of its behavior it in the future. Meanwhile, you may test different cases yourself as I did for other models.

Location:  U_R_RL_RM_RLM/

Operational test

Setting up the following mechanism:

• R* does not exist
• L only binds to R
• M does not bind to R, only to RL
• RLM interconverts into R*LM

Simulate setup_implementation_test U_R_RL_RM_RLM_test1

Report: summary_report

Populations and spectra behave as expected. Model is operational.

====== in development ===========

Contents

• Reduce to U model

  ---

• Reduce to U-R-RL model

  ---

• Reduce to U-R-RL-RM model

  ---

• Binding of the two ligands but no isomerization occurs

  ---

• Isomerization equilibrium is differently shifted by the two ligands

  ---

• Conclusions

Reduce to U model

Back to Contents

Reduce to U-R-RL model

Back to Contents

Reduce to U-R-RL-RM model

Back to Contents

Binding of the two ligands but no isomerization occurs

Back to Contents

Isomerization equilibrium is differently shifted by the two ligands

Back to Contents

Conclusions

A

Back to LineShapeKin Simulation Tutorial