Table 5. The effect of mutations on the MKK4-JNK3, MKK7-JNK3 and IL1A(IL-1α)-IL1R1 interactions.
Interacting Proteins | Template Interface | Energy | |
JNK3 (3fv8A)-wt | MKK4 (3alnA)-wt | 1p4oAB | −12.66* |
JNK3 (3fv8A)-wt | MKK4 (3alnA)-p.Arg154Trp | 1p4oAB | 12.84 |
JNK3 (3fv8A)-wt | MKK4 (3alnA)-p.Gln142Leu | 1p4oAB | −41.14 |
The wild type target structures are energetically minimized, related residues are mutated and PRISM is re-run to predict the protein-protein interactions.
The new reference interactions for comparisons are the predicted interactions between energetically minimized wild type targets and for the three cases they are: MKK4-JNK3 interaction predicted using 1p4oAB template with a predicted binding energy of −12.66 energy units; MKK7-JNK3 predicted using 1ftaAC template with a predicted binding energy of −11.66 energy units; and IL1A-IL1R1 predicted using 1itbAB template with a predicted binding energy of −19.5 energy units.