Table 2.
Biochemical and physical changes prediction between wild-type and mutated FMO3. The ProtParam computed features included the molecular weight, theoretical pI, amino acid composition, atomic composition, instability index, aliphatic index, and grand average of hydropathicity (GRAVY). Analyses of such biochemical and physical parameters showed a decreased global instability from wild-type to mutated FMO3 protein encoded by FMO3 gene carrying SNVs only.
| WILD | P153L_E158K | V267M | E158K | E158K_E308G | E158K_R492W | E158K_R238Q | E158K_G475D | D141V_G180V | Y331Stop | R238P_G475D | P380fs_P153L_E158K | P380fs | P380fs_E308G | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Residues | 532 | 532 | 532 | 532 | 532 | 532 | 532 | 532 | 532 | 330 | 532 | 381 | 381 | 381 |
| MW (g/mol) | 60,033 | 60,048 | 60,065 | 60,032 | 59,960 | 60,062 | 60,004 | 60,090 | 60,059 | 36,917 | 60,032 | 42,556 | 42,541 | 42,469 |
| 1 μg to pmol | 16.6 | 16.65 | 16.65 | 16.66 | 16.68 | 16.65 | 16.67 | 16.64 | 16.65 | 27.09 | 16.66 | 23.5 | 23.51 | 23.55 |
| Net charge (pH = 7) | 2.17 | 4.17 | 2.17 | 4.17 | 5.17 | 3.17 | 3.17 | 3.17 | 3.17 | −2.74 | 0.17 | −0.65 | −2.65 | −1.65 |
| pI | 7.9 | 8.33 | 7.9 | 8.33 | 8.47 | 8.15 | 8.15 | 8.15 | 8.16 | 6.26 | 7.09 | 6.76 | 6.33 | 6.52 |
| Avg. hydropathy (GRAVY) | −0.08 | −0.07 | −0.08 | −0.08 | −0.07 | −0.07 | −0.08 | −0.09 | −0.06 | −0.21 | −0.08 | −0.10 | −0.11 | −0.10 |
| Aliphatic index | 82.07 | 82.8 | 81.52 | 82.07 | 82.07 | 82.07 | 82.07 | 82.07 | 83.16 | 73.21 | 82.07 | 80.05 | 79.03 | 79.03 |
| Instability index | 34.24 | 33.64 | 35.12 | 33.87 | 33.19 | 33.19 | 33.59 | 33.75 | 34.37 | 33.02 | 34.48 | 33.48 | 34.31 | 33.36 |
| 1 mg/mL to A₂₈₀ | 1.46 | 1.46 | 1.46 | 1.46 | 1.46 | 1.55 | 1.46 | 1.46 | 1.46 | 1.23 | 1.46 | 1.14 | 1.14 | 1.14 |
| ε₂₈₀ (M⁻¹ cm⁻¹) | 87,485 | 87,485 | 87,485 | 87,485 | 87,485 | 92,85 | 87,485 | 87,485 | 87,485 | 45,420 | 87,485 | 48,400 | 48,400 | 48,400 |
| 1 A₂₈₀ to mg/mL | 0.69 | 0.69 | 0.69 | 0.69 | 0.69 | 0.65 | 0.69 | 0.69 | 0.69 | 0.81 | 0.69 | 0.88 | 0.88 | 0.88 |
| 1 mg/mL to A₂₈₀ (red.) | 1.45 | 1.45 | 1.45 | 1.45 | 1.45 | 1.54 | 1.45 | 1.45 | 1.45 | 1.22 | 1.45 | 1.13 | 1.13 | 1.13 |
| ε₂₈₀ (M⁻¹ cm⁻¹) (red.) | 86,860 | 86,860 | 86,860 | 86,860 | 86,860 | 92,360 | 86,860 | 86,860 | 86,860 | 44,920 | 86,860 | 47,900 | 47,900 | 47,900 |
| 1 A₂₈₀ to mg/mL (red.) | 0.69 | 0.69 | 0.69 | 0.69 | 0.69 | 0.65 | 0.69 | 0.69 | 0.69 | 0.82 | 0.69 | 0.89 | 0.89 | 0.89 |
| Features | NAP, FAD, WP5, OXY, ADP, IND, NA, 23 helices, 22 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, OXY, MG, IND, MMZ, CYH, 11 helices, 20 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 46 helices, 44 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 28 helices, 52 strands |
NAP, FAD, OXY, IND, MMZ, CYH, 14 helices, 26 strands | NAP, FAD, WP5, OXY, ADP, IND, NA, 28 helices, 52 strands |