Pyruvate 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  ASP-712   THR-713  14.1 13.9 16.0 -13.7 68.1 63.1 1.8  THR-713   LYS-714  10.8 10.6 18.8 -16.2 121.9 118.7 -10.5  LYS-714   GLY-715  8.5 7.6 -17.0 -7.8 76.9 78.5 20.2  GLY-715   PRO-716  5.7 5.1 10.3 -8.9 83.4 101.9 8.5  PRO-716   GLU-717  1.9 1.7 -82.6 35.1 45.2 34.0 95.0  GLU-717   ILE-718  2.5 2.4 10.0 16.4 83.5 78.2 -0.5 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-808   ASN-809  6.1 6.3 -14.5 11.7 96.7 97.4 25.4  ASN-809   LEU-810  3.8 3.7 -13.7 1.5 102.6 106.5 -12.9  LEU-810   PRO-811  6.4 5.9 -18.4 8.0 120.8 110.1 -16.8  PRO-811   GLY-812  6.5 5.6 0.3 3.5 97.1 87.3 -13.3  GLY-812   ALA-813  9.6 9.1 24.7 -45.6 153.7 143.1 70.9  ALA-813   ALA-814  9.9 9.4 12.2 10.6 130.0 146.2 -107.9  ALA-814   VAL-815  10.9 10.1 1.2 -38.3 145.5 131.1 100.2  VAL-815   ASP-816  8.3 6.9 -38.2 6.3 25.9 44.7 49.3  ASP-816   LEU-817  8.8 7.2 72.5 -43.8 124.0 128.2 -37.6  LEU-817   PRO-818  5.2 3.9 9.6 -19.8 114.2 110.9 5.4  PRO-818   ALA-819  5.3 4.4 -1.1 -3.3 123.1 116.0 10.2  ALA-819   VAL-820  7.1 6.4 12.7 -15.5 97.9 116.6 -5.7  VAL-820   SER-821  5.7 5.6 -19.5 -17.2 66.0 56.1 50.3  SER-821   GLU-822  3.0 2.7 -4.5 6.6 26.5 39.3 -2.8  GLU-822   LYS-823  3.8 3.8 0.7 -1.6 79.4 69.9 -9.4  LYS-823   ASP-824  7.1 6.6 -1.7 1.1 101.9 107.7 9.7  ASP-824   ILE-825  7.7 7.3 15.0 -4.2 142.0 141.9 -24.7  ILE-825   GLN-826  8.3 8.2 -4.6 -1.5 69.2 77.1 16.0  GLN-826   ASP-827  10.2 10.4 -7.6 14.9 125.3 129.5 4.7  ASP-827   LEU-828  12.4 12.2 -15.1 4.1 88.1 84.3 -3.0 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