Shikimate Kinase

(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
 HIS-95   THR-96  9.1 9.1 -6.5 7.8 49.5 52.3 45.2
 THR-96   VAL-97  7.7 7.6 4.3 -4.7 87.8 84.9 -40.8
 VAL-97   VAL-98  4.0 3.9 2.7 1.0 126.9 122.8 -3.0

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
 THR-111   GLY-112  19.3 18.5 25.7 -139.0 109.1 92.8 306.9
 GLY-112   GLY-113  22.7 22.3 -10.8 -161.1 18.1 107.8 -662.5
 GLY-113   ASN-114  21.7 23.3 -162.9 3.8 92.9 39.5 683.9
 ASN-114   THR-115  21.9 25.2 -96.5 86.8 94.8 60.8 2.6
 THR-115   VAL-116  19.3 22.2 143.6 73.5 108.7 164.5 -650.6
 LEU-119   LEU-120  19.4 18.7 20.1 -4.6 55.2 49.3 65.8
 LEU-120   ALA-121  20.9 20.1 0.6 17.7 63.5 67.7 -23.8
 ALA-121   GLY-122  24.7 23.8 -26.7 -173.2 56.7 81.3 432.6
 GLY-122   PRO-123  28.0 26.7 -12.5 -12.6 107.6 37.9 -338.0
 PRO-123   ASP-124  29.8 28.5 -161.6 160.9 80.7 74.1 -58.2
 ASP-124   ARG-125  27.1 26.7 18.0 8.6 64.7 83.0 -10.5
 ARG-125   ALA-126  24.3 23.5 0.4 -5.7 70.6 80.9 10.8
 ALA-126   GLU-127  23.8 22.7 11.9 -1.4 139.5 148.8 -43.1
 GLU-127   LYS-128  23.6 23.1 -4.4 3.4 66.1 64.9 26.1
 LYS-128   TYR-129  21.1 20.6 -7.2 5.6 123.7 118.0 -13.7
 TYR-129   ARG-130  18.8 18.1 -4.7 0.0 81.6 75.8 9.2
 ARG-130   ALA-131  19.1 18.6 7.5 -0.8 149.2 155.5 -15.8
 ALA-131   LEU-132  18.0 17.8 -0.2 -6.6 94.6 91.3 -37.0

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
 LEU-139   TYR-140  5.9 5.6 1.4 0.5 145.5 149.3 16.7
 TYR-140   ARG-141  4.9 4.8 1.1 -5.5 100.7 101.1 17.9
 ARG-141   ARG-142  7.3 7.1 6.8 -10.3 51.2 57.9 26.7
 ARG-142   VAL-143  6.4 6.2 11.8 1.5 107.8 109.8 -29.4
 VAL-143   ALA-144  3.7 3.6 -8.3 -20.7 22.4 19.8 136.6
 ALA-144   THR-145  4.8 4.5 -2.2 9.5 83.8 70.3 -118.1
 THR-145   MET-146  7.4 7.1 1.8 -15.9 159.3 152.9 92.7
 MET-146   ARG-147  6.7 6.5 12.1 -8.2 88.4 85.8 0.9
 ARG-147   VAL-148  7.0 6.4 12.2 -14.7 165.6 163.2 5.8
 VAL-148   ASP-149  6.5 6.2 23.3 -21.0 92.5 90.2 9.0

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
 PRO-155   GLY-156  5.7 6.2 -28.3 21.9 118.7 116.8 -1.9
 GLY-156   ALA-157  3.2 3.5 17.7 -16.8 100.8 92.6 20.7
 ALA-157   VAL-158  4.0 3.9 -13.2 13.5 25.2 22.8 -15.0

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
 VAL-159   ARG-160  0.5 0.4 4.1 5.3 113.8 114.1 -25.1
 ARG-160   HIS-161  3.1 3.2 -3.0 2.3 126.1 131.0 0.7
 HIS-161   ILE-162  5.2 5.4 17.7 -25.3 45.4 50.8 -33.7

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