Multistep modeling of protein structure:  application towards refinement of tyr-tRNA synthetase.
The scope of multistep modeling (MSM) is expanding by adding a least-squares minimization step in the procedure to fit backbone reconstruction consistent with a set of C-alpha coordinates.  The analytical solution of Phi and Psi angles, that fits a C-alpha x-ray coordinate is used for tyr-tRNA synthetase.  Phi and Psi angles for the region where the above mentioned method fails, are obtained by minimizing the difference in C-alpha distances between the computed model and the crystal structure in a least-squares sense.  We present a stepwise application of this part of MSM to the determination of the complete backbone geometry of the 321 N terminal residues of tyrosine tRNA synthetase to a root mean square deviation of 0.47 angstroms from the crystallographic C-alpha coordinates.
Srinivasan
S
S
Department of Biophysics, Roswell Park Memorial Institute, Buffalo, New York 14263, USA.
Shibata
M
M
Roychoudhury
M
M
Rein
R
R
D003196:Computer Graphics; D003461:Crystallography; D016018:Least-Squares Analysis; D008958:Models, Molecular; D015394:Molecular Structure; D012984:Software; D014448:Tyrosine-tRNA Ligase
D014448:Tyrosine-tRNA Ligase