# Setting positions where the ligand will bind to the receptor

**URL:** <https://ask.bioexcel.eu/t/setting-positions-where-the-ligand-will-bind-to-the-receptor/4457>\
**Category:** HADDOCK\
**Created:** [August 19, 2023, 2:09pm UTC](https://ask.bioexcel.eu/t/setting-positions-where-the-ligand-will-bind-to-the-receptor/4457 "2023-08-19T14:09:23Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![JIQuiambao](https://avatars.discourse-cdn.com/v4/letter/j/e19adc/32.png) [@JIQuiambao](https://ask.bioexcel.eu/u/JIQuiambao)\
**Post date:** [August 19, 2023, 2:09pm UTC](https://ask.bioexcel.eu/t/setting-positions-where-the-ligand-will-bind-to-the-receptor/4457/1 "2023-08-19T14:09:23Z")

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Good day!

I am trying to dock the TRAIL ligand onto a trimer of Death Receptor 4. However, when I run the job onto the webserver, the results that I get are far from the experimental findings and have a positive HADDOCK score. Is there some way to set some restrains that the ligand would bind to the receptor in a fixed orientation? I have active sites in both receptor and ligand obtained from experimental studies.

Thank you!

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [August 20, 2023, 2:46pm UTC](https://ask.bioexcel.eu/t/setting-positions-where-the-ligand-will-bind-to-the-receptor/4457/2 "2023-08-20T14:46:21Z")

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There is a lot of flexibility in defining restraints.

May-be in your case the shape-restrained protocol might work best. Check the following tutorial:

[https://www.bonvinlab.org/education/HADDOCK24/shape-small-molecule/](https://www.bonvinlab.org/education/HADDOCK24/shape-small-molecule/)