google-deepmind / google-deepmind/alphafold3
AF3 unable to predict covalent bonds between DNA and protein
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Description
Hi there!
I read the input doc and it says **Defining covalent bonds between or within polymer entities is not currently supported**.
I'm not sure what `polymer` exactly means in the context.So I use 1K4T, a protein-DNA covalent complex and `run_alphafold.py` gives an info:
```log
I1201 13:58:33.149596 128177626838144 structure_cleaning.py:253] Reducing number of bonds for top1_dna_topotecan_hg from 1 to 0, of which 1 are polymer-polymer bonds and 0 are bad bonds.
```
And finally in pymol that bond doesn't show up.
So,does `polymer` in `#Bond` section mean proteins,DNA, and RNA exactly?
Does it mean that covalent bond definition for protein/DNA/RNA is not supported now,while ligand-ligand,ligand-protein,ligand-DNA and ligand-RNA are supported?
If I DO want to model a protein-DNA covalent complex,is it reasonable to define a single DT as a ligand and connect to the protein and other DNA units?
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