I am trying to study docking of drug-DNA interaction and for that I need PDB file.
How can I get a pdb file for my custom dsDNA sequence (10-11 base pairs long)?
I will really appreciate if you can please guide me.
Thank you all for your time.
I am trying to study docking of drug-DNA interaction and for that I need PDB file.
How can I get a pdb file for my custom dsDNA sequence (10-11 base pairs long)?
I will really appreciate if you can please guide me.
Thank you all for your time.
UCSF Chimera is free to use and is very versatile for molecular modeling. It has a Build Structure
module (found in Tools->Structure Editing
) useful for building proteins or nucleic acid sequences (selections in the left pane).
Clicking Apply
performs the build.
It is then saved with File->Save PDB
.
Note: the structure is devoid of hydrogen ions, which can be added using Tools->Structure Editing->AddH
. I have always used this program because its outputs are readily accepted by CHARMM-GUI (the server adds the hydrogen ions in this case).