# Docking between DNA and a protein

**URL:** https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082
**Category:** Uncategorized
**Created:** [January 23, 2023, 1:04pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082 "2023-01-23T13:04:29Z")
**Posts on this page:** 6
**Page:** 1

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### Author: ![Parvathy\_Sarma](https://avatars.discourse-cdn.com/v4/letter/p/cab0a1/32.png) [@Parvathy\_Sarma](https://ask.bioexcel.eu/u/Parvathy_Sarma)
#### Post date: [January 23, 2023, 1:04pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/1 "2023-01-23T13:04:29Z")

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Dear All,

I am docking between a DNA whose backbone is having a bond break (missing oxygen atom between two bases) and a protein molecule. After docking apparently, the resulted DNA molecule is completely restored without any damages.  
I don’t want this to happen. I want to understand how the damaged DNA is interacting with protein molecule. I have tried changing the residue numbers; adding certain modifications like adding Hydrogen atom etc. as of now nothing works. Is there any other alternative that I can do to rectify this issue?

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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: [January 23, 2023, 1:35pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/2 "2023-01-23T13:35:33Z")

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Try adding a TER statement after the break in your DNA

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### Author: ![Parvathy\_Sarma](https://avatars.discourse-cdn.com/v4/letter/p/cab0a1/32.png) [@Parvathy\_Sarma](https://ask.bioexcel.eu/u/Parvathy_Sarma)
#### Post date: [January 23, 2023, 1:43pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/3 "2023-01-23T13:43:38Z")

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I tried that as well. Even after that there is no differnence in the output clusters.

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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: [January 23, 2023, 2:55pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/4 "2023-01-23T14:55:25Z")

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Does not surprise me… What are you expecting?  
Does the protein binds close the broken linkage?

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### Author: ![Parvathy\_Sarma](https://avatars.discourse-cdn.com/v4/letter/p/cab0a1/32.png) [@Parvathy\_Sarma](https://ask.bioexcel.eu/u/Parvathy_Sarma)
#### Post date: [January 23, 2023, 3:18pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/5 "2023-01-23T15:18:09Z")

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I don’t want the damage to be rectified. I expect that the protein go and interact with the damage site without rectifying the damage (somehow haddock adds a phosphate backbone).

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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: [January 23, 2023, 3:56pm UTC](https://ask.bioexcel.eu/t/docking-between-dna-and-a-protein/4082/6 "2023-01-23T15:56:48Z")

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Indeed, HADDOCK will add a phosphate at the 3’ end automatically.

No options to prevent that on the server I am afraid.
