Jef, PISA will give you the size of the protein-substrate interface, which is inversely correlated to the solvent exposed surface. Subtracting the interface surface from the total surface of the substrate will give you an estimate of the solvent exposed surface. Best regards, Herman
-----Ursprüngliche Nachricht----- Von: CCP4 bulletin board [mailto:[email protected]] Im Auftrag von Jeff Holden Gesendet: Mittwoch, 25. Juni 2014 22:11 An: [email protected] Betreff: [ccp4bb] solvent exposed Experts, I would like to compare the substrate binding site of two homologous proteins. Based on crystal structures it is clear that the substrate binding site of protein A is more solvent exposed then protein B. Is there a way to measure the solvent exposure of the substrate in protein A and B? Or perhaps you have an additional suggestion for making a structural comparison (besides what seems obvious...noting the differences in non-covalent interactions)? Thanks, Jeff
