Table 2.
Molecular docking profiles of wild-type vs. mutant RNA interaction with host proteins. HADDOCK score for wild-type complex with respect to both host transcription factors is more negative compare to mutant. Parameters obtained from docking clearly instigates that wild-type complex seems to me more stable compare to mutant in case of both host factors, MADP1 and hnRNP1.
| Protein-RNA complexes | Cluster used in study | HADDOCK score | Cluster size | RMSD | Van der Waals energy | Electrostatic energy | Desolvation energy | Restraints violation energy | Buried Surface Area | Z-score |
|---|---|---|---|---|---|---|---|---|---|---|
| Wild-type MADP1 | Cluster-2 | −143.0±3.5 | 37 | 0.9±0.6 | −88.8±8.6 | −459.4± 22.5 | 26.6± 1.1 | 110.5±41.67 | 2277.5± 86.7 | −1.8 |
| Mutant(C241T) MADP1 | Cluster 3 | −138.4±1.6 | 23 | 1.1±0.7 | −75.3±12.7 | −519.7±74.5 | 33.2±3.6 | 76.7±31.34 | 2389.6±183.2 | −1.4 |
| Wild-type hnRNP1 | Cluster-4 | −79.7±3.6 | 9 | 9.3±0.2 | −40.0±5.6 | −335.3±26.9 | 18.5±5.5 | 88.8±19.91 | 1413.4±165.7 | −2.4 |
| Mutant(C241T) hnRNP-1 | Cluster-1 | −78.3±5.0 | 12 | 9.4±0.2 | −47.4 ±3.1 | −248.0±6.0 | 9.7±5.1 | 89.5±29.66 | 1348.1±86.8 | −1.5 |