Hello everyone,
I am working on docking my recombinant protein with lipopolysaccharide (LPS) using in silico methods. However, I am having trouble finding a PDB file for LPS. I have checked the RCSB PDB database but couldn't find a suitable structure.
Does anyone know where I can find a PDB file for LPS?
Any suggestions or alternative approaches would be greatly appreciated.
Thank you in advance for your help!
The first thing is to know the actual protein you are looking for, PDB has over millions stored proteins data and you'll definitely find it. I advice you incorporate Gemini to help you look for name of suitable protein to your potential chemical compounds and subsequently go to PDB for download. I hope this helps.
Hi,
with SMILES (https://pubchem.ncbi.nlm.nih.gov/compound/LPS-core#section=2D-Structure), you can build a tentative structure with OpenBabel / OBminimize
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