TABLE 2

Homology models built for CYP2C9 and CYP2C5


Homology Models

I.D.

RMSD 1 vs. CYP2C9

RMSD 2 vs. CYP2C5

Ramachandran (%)a
CYP2C9
   2D alignment to CYP2C5
CYP2C9_2D_1 2.19 0.26 85.9
CYP2C9_2D_2 2.19 0.19 84.9
CYP2C9_2D_3 2.18 0.19 85.6
CYP2C9_2D_4 2.20 0.19 86.1
CYP2C9_2D_5 2.23 0.22 85.6
   3D alignment to CYP2C5 and BM3
CYP2C9_3D:A_1 2.24 0.61 83.1
CYP2C9_3D:A_2 2.23 0.69 83.4
CYP2C9_3D:A_3 2.23 0.78 83.9
CYP2C9_3D:A_4 2.23 0.78 83.9
CYP2C9_3D:A_5 2.24 0.77 83.6
   3D alignment to all crystal templates
CYP2C9_3D:B_1 2.23 0.86 80.6
CYP2C9_3D:B_2 2.26 0.84 80.4
CYP2C9_3D:B_3 2.23 0.64 81.1
CYP2C9_3D:B_4 2.23 0.68 81.6
CYP2C9_3D:B_5 2.24 0.59 80.4
CYP2C5
   2D alignment to CYP2C9
CYP2C5_2D_1 0.34 2.18 91.6
CYP2C5_2D_2 0.35 2.17 92.1
CYP2C5_2D_3 0.35 2.19 92.3
CYP2C5_2D_4 0.36 2.17 93.1
CYP2C5_2D_5 0.36 2.17 91.6
   3D alignment to CYP2C9 and BM3
CYP2C5_3D:A_1 0.50 2.13 89.6
CYP2C5_3D:A_2 0.50 2.12 91.3
CYP2C5_3D:A_3 0.57 2.13 89.9
CYP2C5_3D:A_4 0.64 2.14 90.8
CYP2C5_3D:A_5 0.53 2.13 90.3
   3D alignment to all crystal templates
CYP2C5_3D:B_1 2.94 3.61 84
CYP2C5_3D:B_2 2.93 3.60 85.9
CYP2C5_3D:B_3 2.57 3.29 86.2
CYP2C5_3D:B_4 2.95 3.64 87.4

CYP2C5_3D:B_5
3.08
3.66
85.4
  • a Percentage of residues with psi and phi conformation in the “most favored regions” of the Ramachandran plot