Bifunctional P-450/nadph-P450 Reductase

(All numbering and residues are taken from first PDB file)

Bending Residue Dihedral Analysis

Residue
i
Residue
i+1
Distance of hinge axis to residue i in conformer 1
(A)
Distance of hinge axis to residue i in conformer 2
(A)
Change in psi (i)
(deg)
Change in phi (i+1)
(deg)
Angle of psi(i) axis to hinge axis conformer 1
(deg)
Angle of psi(i) axis to hinge axis conformer 2
(deg)
Percentage Progress
 PRO-172   PHE-173  5.9 5.5 -0.9 -18.7 72.1 74.4 37.7
 PHE-173   ILE-174  3.0 2.4 0.5 6.6 40.2 36.3 -2.0
 ILE-174   THR-175  3.1 3.1 -1.8 15.7 131.3 129.0 39.6
 THR-175   SER-176  2.4 2.0 -18.7 7.8 70.5 78.5 12.3
 SER-176   MET-177  2.8 2.4 -2.1 10.5 90.6 91.4 -2.6

Downloading Image

Graph shows rotational transition at bending residues and can be used to identify hinge bending residues.
Probably only informative for interdomain rotations greater than 20 degrees


Residue
i
Residue
i+1
Distance of hinge axis to residue i in conformer 1
(A)
Distance of hinge axis to residue i in conformer 2
(A)
Change in psi (i)
(deg)
Change in phi (i+1)
(deg)
Angle of psi(i) axis to hinge axis conformer 1
(deg)
Angle of psi(i) axis to hinge axis conformer 2
(deg)
Percentage Progress
 MET-212   ASN-213  2.0 2.4 -6.3 8.4 172.0 177.7 4.3
 ASN-213   ASP-214  3.5 3.9 11.8 2.4 57.4 65.4 39.1
 ASP-214   LEU-215  4.0 4.0 -9.8 -4.7 93.8 102.9 -3.9
 LEU-215   VAL-216  2.5 1.9 1.1 8.7 47.3 44.4 13.1
 VAL-216   ASP-217  1.4 1.5 5.6 -13.0 22.3 28.5 -23.0
 ASP-217   LYS-218  1.1 1.4 6.9 -0.8 73.2 78.6 15.3
 LYS-218   ILE-219  4.2 3.7 20.2 -27.8 79.8 73.0 -1.0
 ILE-219   ILE-220  5.2 4.4 3.2 16.5 22.6 19.1 51.5
 ILE-220   ALA-221  3.8 2.9 16.5 -17.2 45.1 55.6 -7.8
 ALA-221   ASP-222  3.7 4.3 10.2 -14.2 82.7 87.3 -6.2
 ASP-222   ARG-223  7.4 7.6 5.4 12.7 58.2 50.7 36.0
 ARG-223   LYS-224  8.2 7.7 3.2 4.3 14.6 22.9 26.9
 LYS-224   ALA-225  6.1 6.1 -20.2 -0.7 121.2 108.0 -36.9
 ALA-225   SER-226  7.9 9.4 23.8 -0.1 87.0 97.8 -7.1
 GLN-229   SER-230  16.2 15.6 -167.9 100.3 20.7 54.5 142.3
 SER-230   ASP-231  16.3 15.7 -25.0 61.3 90.4 104.4 -42.7
 ASP-231   ASP-232  17.7 17.7 -107.8 96.4 14.0 39.1 32.5

Downloading Image

Graph shows rotational transition at bending residues and can be used to identify hinge bending residues.
Probably only informative for interdomain rotations greater than 20 degrees