Hexokinase

(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
 GLN-93   HIS-94  6.3 6.2 -11.2 0.5 103.9 107.7 -11.7
 HIS-94   ASP-95  2.7 2.7 -3.8 -2.4 38.3 34.5 39.8
 ASP-95   GLY-96  3.3 3.0 0.3 2.6 129.2 122.4 -10.7
 GLY-96   VAL-97  1.4 1.9 -9.1 4.2 51.0 53.8 2.5
 VAL-97   ILE-98  2.2 2.3 -4.3 4.2 32.9 33.1 -3.6
 ILE-98   ALA-99  3.0 2.5 -15.2 7.2 54.1 49.5 33.4
 ALA-99   LEU-100  1.8 2.0 -6.4 -0.5 57.3 56.6 19.6
 LEU-100   PHE-101  2.2 2.6 4.9 4.0 137.9 130.2 -26.0
 PHE-101   ALA-102  3.2 3.1 -13.5 10.3 40.9 35.4 16.3

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
 ASP-271   LEU-272  10.7 11.2 -9.5 2.5 55.1 60.1 8.5
 LEU-272   GLY-273  10.2 10.5 -9.5 -3.8 92.4 101.1 -24.6
 GLY-273   LYS-274  6.6 7.2 -11.0 46.5 119.4 113.8 31.0
 LYS-274   ARG-275  6.2 6.0 -22.5 7.2 78.6 58.2 3.0
 ARG-275   SER-276  5.2 4.6 -47.5 18.0 21.5 17.2 100.0
 SER-276   PRO-277  7.0 6.7 4.8 -0.5 128.1 130.3 -3.9

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