Binding energy and various energy contributions of recombinant phytase and substrate phytate (kcal/mol).
Recombinant phytase | ΔGvdW | ΔGele | ΔGpolar | ΔGnon-polar | ΔGbind |
---|---|---|---|---|---|
WT | -18.35 ± 2.70 | -2101.65 ± 13.67 | 2059.44 ± 9.03 | -3.65 ± 0.04 | -64.20 ± 16.60 |
K189R | -21.96 ± 2.81 | -2117.64 ± 7.96 | 2075.72 ± 2.09 | -3.41 ± 0.08 | -67.29 ± 8.69 |
K216R | -18.59 ± 2.53 | -2172.44 ± 8.28 | 2103.10 ± 2.77 | -4.13 ± 0.03 | -92.07 ± 9.09 |
K189R/K216R | -19.51 ± 1.93 | -2374.11 ± 8.52 | 2300.54 ± 15.18 | -4.00 ± 0.02 | -97.07 ± 17.51 |