Charge can effect the shape of a molecule

No molecule is a string of beads, but let's view one this way for the sake of simplicity. Furthermore, proteins have functional groups that can acquire either positive or negative charges. For futher simplicity, assume that there are only carboxyl groups. These get a negative charge at a pH above the pK of the carboxyl groups. Please experiment with this applet to see if you can figure out what is happening. The top bead is fixed, and the others relate to it.

Below the pK, there is little or no charge on the molecule. It tends to bend a lot. This is a snapshot of a vibrating molecule, and bonds are like springs. At any instant, the lengths may be different. This applet is set up to make the average bond length a little greater as the repulsion increases.

Above the pK, the groups are charged and repell each other. This straightens the molecule out.

A real protein has its minimum charge at its isoelectric point. That is the pH where it can curl up or compact the most. At both higher pH and lower pH, it gets increasing charge that creates repulsion to stretch the protein out.


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H. Bungay, February, 2000