# HADDOCK: Protein-Ligand docking

**URL:** <https://ask.bioexcel.eu/t/haddock-protein-ligand-docking/2932>\
**Category:** HADDOCK\
**Created:** [May 19, 2021, 8:10am UTC](https://ask.bioexcel.eu/t/haddock-protein-ligand-docking/2932 "2021-05-19T08:10:59Z")\
**Posts on this page:** 2\
**Page:** 1

<div class="post-metadata">

**Author:** ![yyl](https://avatars.discourse-cdn.com/v4/letter/y/58f4c7/32.png) [@yyl](https://ask.bioexcel.eu/u/yyl)\
**Post date:** [May 19, 2021, 8:10am UTC](https://ask.bioexcel.eu/t/haddock-protein-ligand-docking/2932/1 "2021-05-19T08:10:59Z")

</div>

Hi, I am looking to do some protein-ligand docking using the Haddock server Easy interface. I have some NMR data on the active residues of the protein involved in the interaction, but I am not sure what to input for the active/passive residues for my small molecule ligand. The calculation cannot be submitted without inputting something in the form.

Is there a way to get around this?

Thanks in advance!

---

<div class="post-metadata">

**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:** [May 19, 2021, 8:31am UTC](https://ask.bioexcel.eu/t/haddock-protein-ligand-docking/2932/2 "2021-05-19T08:31:06Z")

</div>

Define the ligand as active.

But I would recommend to check our tutorial about protein-ligand docking, and in particular the second stage of it:

[https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-binding-sites/#setting-up-a-new-docking-run-targeting-the-identified-binding-pocket](https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-binding-sites/#setting-up-a-new-docking-run-targeting-the-identified-binding-pocket)

Cheers

Alexandre