Aligning two structures

Oftentimes you will want to compare two different PDB files to one another. Here's how.

You can either download the two files that are of interest, and open them into PyMOL, or you can use the Fetch command if you know the ID's already.  PyMOL will then download the files from the PDB site remotely. For example, I will compare two structures of the DNA-binding protein MntR that have PDB ID's 1ON1 and 1ON2.

Open PyMOL and in the command line, type

fetch

What you'll see is two protein models (labeled 1ON1 and 1ON2 in the Panel).

unalign

The simplest command to align them is

align 1ON2, 1ON1

Not that 1ON2 moves while 1ON1 is the fixed reference model. If you look in the text window, the quality of the alignment isn't that great (rmsd 0.759 Å). To improve it you can select a subset of residues and atoms.  For example, I know that residues 80-120 form an invariant structural core to the protein, so I might type:

align 1ON2 and resi 80-120 and name CA, 1ON1

Voila, 0.226 Å rmsd. Next to "all" in the Names Panel, Hide Lines and Show Cartoon, and then Action Zoom to center the image.

align

This is a start. For prettier rendering, go here.