Dear All,
I am not able to obtain a .pdb file for CYP3A4 even after trying to remove a ligand and running dockprep command in chimera. Can anyone help me to prepare a file from already docked file by removing the ligand and solvent successfully? Or I will be thankful if anyone can provide me a ready to dock .pdb file.
Martiniano Bello Thank you very much for doing this favour. But May I know what haemoglobin like structure is seen after selecting the 'ligand' in chimera?
CYP3A4 is Cytochrome P450 3A4 and as such contains a heme group essential for its electron transfer function. See: https://www.uniprot.org/uniprot/P08684.
Scroll down to "3D structure databases" for a list of pdb entries for this enzyme, or use advanced search on the rcsb pdb for UniProt # P08684. It's a good idea to compare multiple structures to get an idea of the flexibility of the active site before deciding on which structure(s) to use for docking.
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