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
 VAL-6   LEU-7  2.9 3.1 -7.5 4.6 65.7 72.2 31.1
 LEU-7   VAL-8  2.3 2.0 8.0 -3.0 164.6 163.7 -22.2
 VAL-8   GLY-9  2.6 2.7 -14.6 33.8 79.3 82.8 -99.5

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


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
 LYS-24   ALA-25  8.1 7.3 -3.1 4.9 52.2 56.7 -90.1
 ALA-25   LEU-26  5.2 4.5 9.8 -8.0 106.0 99.9 41.8
 LEU-26   GLY-27  3.1 2.4 -7.4 5.9 61.8 59.8 10.6

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
 HIS-95   THR-96  8.7 9.1 0.4 6.6 75.6 77.7 -37.0
 THR-96   VAL-97  6.3 6.7 4.2 -0.9 119.1 119.8 13.4
 VAL-97   VAL-98  3.7 4.0 -2.5 2.2 93.4 98.5 51.1

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
 ALA-105   GLU-106  19.9 19.0 -3.5 8.6 33.8 32.8 -23.9
 GLU-106   GLY-107  18.8 18.3 1.2 4.8 83.6 84.9 -23.5
 GLY-107   VAL-108  15.9 16.0 -11.8 -5.3 116.1 114.0 -40.2
 VAL-108   ARG-109  18.5 18.8 5.7 14.9 130.7 128.4 -116.8
 ARG-109   ARG-110  21.0 21.4 -14.5 -7.2 45.9 54.0 185.5
 ARG-110   THR-111  18.6 19.7 -3.2 0.4 110.2 114.2 35.5
 THR-111   GLY-112  18.3 19.3 -83.1 -93.1 113.5 124.6 -495.4
 GLY-112   GLY-113  21.9 19.6 162.7 -14.2 96.7 25.2 471.2
 GLY-113   ASN-114  23.8 18.4 77.0 2.6 74.2 107.8 228.0
 ASN-114   THR-115  21.3 20.3 -39.4 -12.8 155.5 48.4 -180.6
 ALA-121   GLY-122  19.8 20.0 4.9 -178.8 39.5 98.7 -681.1
 GLY-122   PRO-123  22.5 23.3 42.5 24.4 83.6 86.5 84.7
 PRO-123   ASP-124  23.1 24.2 161.7 -161.5 80.3 91.6 -62.6
 ASP-124   ARG-125  21.0 20.7 -34.5 20.6 46.4 36.0 108.2
 ARG-125   ALA-126  19.3 19.2 5.6 -1.3 99.6 113.7 -22.9
 ALA-126   GLU-127  19.2 19.3 -1.9 -0.3 133.1 122.9 5.9
 GLU-127   LYS-128  17.5 17.4 5.6 -8.3 97.1 98.1 19.9
 LYS-128   TYR-129  14.9 14.7 8.7 -3.3 140.4 152.7 -11.3
 TYR-129   ARG-130  14.1 14.4 3.6 2.0 78.7 83.9 -15.6
 ARG-130   ALA-131  14.1 14.3 6.3 -14.0 54.7 64.9 -51.0
 ALA-131   LEU-132  11.4 11.3 -3.2 11.9 57.6 55.2 -57.6
 LEU-132   MET-133  9.2 9.6 -6.4 -13.7 61.1 56.7 64.8
 MET-133   ALA-134  9.7 9.6 7.4 11.5 55.7 61.7 3.8

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
 ALA-137   PRO-138  6.9 6.7 5.3 -5.1 90.6 97.0 25.0
 PRO-138   LEU-139  6.8 6.6 7.8 -2.3 64.9 71.1 -7.2
 LEU-139   TYR-140  3.5 3.3 4.9 -4.3 4.3 2.5 52.1
 TYR-140   ARG-141  3.6 3.6 -1.9 11.9 110.8 106.6 29.6
 ARG-141   ARG-142  7.2 7.2 -11.8 6.6 88.8 86.2 -6.2
 ARG-142   VAL-143  7.4 7.2 -8.1 3.0 138.6 136.4 -14.6
 VAL-143   ALA-144  5.7 5.8 2.4 15.7 22.5 20.8 125.8
 ALA-144   THR-145  5.9 6.1 2.9 -3.7 61.5 63.9 -98.0

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