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-8   GLY-9  2.6 2.6 -10.3 29.5 97.9 102.6 18.8
 GLY-9   LEU-10  4.9 5.3 -4.5 -21.4 66.3 58.0 153.6
 LEU-10   PRO-11  8.4 8.7 5.2 -5.6 60.1 51.3 -18.7
 PRO-11   GLY-12  11.2 12.1 -5.5 22.3 136.7 122.0 153.1
 GLY-12   SER-13  12.4 13.2 -11.1 -7.7 119.3 123.1 -40.5
 SER-13   GLY-14  9.3 9.7 1.3 -35.4 30.4 30.5 -279.2
 GLY-14   LYS-15  8.9 10.0 2.1 10.0 92.9 93.1 9.3
 LYS-15   SER-16  7.3 7.6 -4.4 4.6 123.1 118.4 -68.4

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-98   TYR-99  2.2 2.5 3.5 -7.5 122.3 118.1 -13.0
 TYR-99   LEU-100  2.8 2.7 2.6 3.7 51.1 51.6 30.8
 LEU-100   GLU-101  4.8 4.7 -18.2 -2.3 54.9 57.3 161.7

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


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
 ARG-109   ARG-110  20.0 20.5 -7.8 -15.1 62.6 61.7 140.6
 ARG-110   THR-111  17.2 18.3 -4.9 -15.1 120.2 116.8 -26.4
 THR-111   GLY-112  17.9 18.9 -19.4 116.6 102.1 123.3 517.8
 GLY-112   GLY-113  21.6 21.9 55.5 164.2 94.1 23.3 -715.7
 GLY-113   ASN-114  23.3 20.1 14.4 -4.4 56.7 96.7 102.2
 ASN-114   THR-115  21.2 20.8 -23.0 -19.1 164.7 70.8 -271.6
 THR-115   VAL-116  22.6 18.2 -25.0 -43.2 112.0 101.9 -690.5
 LEU-119   LEU-120  15.7 16.6 -9.8 -23.5 65.5 67.1 103.7
 LEU-120   ALA-121  17.7 18.6 97.8 -97.9 89.4 104.5 -156.9
 ALA-121   GLY-122  21.2 22.4 8.2 26.0 58.2 42.7 203.7
 GLY-122   PRO-123  24.3 25.3 -19.0 17.1 82.5 81.5 -31.4
 PRO-123   ASP-124  25.3 26.9 165.1 -166.0 76.1 86.1 -92.2
 ASP-124   ARG-125  23.6 23.7 -10.1 0.4 60.7 50.4 58.6
 ARG-125   ALA-126  21.0 21.6 3.2 2.5 101.9 112.9 -13.2
 ALA-126   GLU-127  20.7 21.4 -11.8 4.7 141.7 131.2 -34.6
 GLU-127   LYS-128  20.0 20.3 8.5 -4.8 78.4 80.0 43.9
 LYS-128   TYR-129  17.4 17.7 6.7 -4.5 129.7 137.1 5.1
 TYR-129   ARG-130  15.7 16.2 2.3 4.1 79.9 84.9 1.1
 ARG-130   ALA-131  15.9 16.2 -5.6 2.1 142.9 134.7 -21.5
 ALA-131   LEU-132  14.3 14.3 -10.0 12.5 76.2 71.4 -45.2
 LEU-132   MET-133  11.3 11.8 -8.2 4.0 62.2 56.4 18.8
 MET-133   ALA-134  11.1 11.3 -1.0 1.3 127.5 123.7 52.6
 ALA-134   LYS-135  11.7 11.6 4.7 -7.5 59.3 62.3 -47.9
 LYS-135   ARG-136  8.6 8.3 4.5 2.5 127.2 130.0 -25.2
 ARG-136   ALA-137  6.2 6.2 -15.8 -2.8 50.1 53.4 149.1

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
 VAL-143   ALA-144  5.2 5.1 4.9 14.2 11.6 9.8 123.4
 ALA-144   THR-145  5.4 5.4 5.6 -11.6 68.4 72.1 -82.4
 THR-145   MET-146  8.1 8.1 5.1 4.7 38.5 31.0 72.7

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


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-158   VAL-159  5.2 4.9 2.3 -6.0 102.4 103.3 18.1
 VAL-159   ARG-160  2.3 1.8 6.0 0.3 122.6 124.0 -0.3
 ARG-160   HIS-161  2.2 2.4 0.0 1.7 60.0 58.1 -9.1

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
 ILE-162   LEU-163  2.9 3.5 4.0 -14.4 53.4 54.4 -33.7
 LEU-163   SER-164  3.7 4.5 5.8 8.5 74.5 74.6 27.5
 SER-164   ARG-165  6.3 7.2 0.7 -7.4 134.8 137.5 66.4

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