Molecular modeling approach and RMSD calibration for superimposed 3D structure of DHFR from Pneumocystis jiroveci (PCP)

The research illuminates DHFR from Pneumocystis jiroveci as a newly potential drug target against pneumonia. P. jiroveci DHFR sequence Q9UUP5 was obtained from Swiss-Prot database and deployed for 3-dimensional structure prediction. Sequence similarity templates searching found between P.j DHFR against 1CD2, 1VJ3 and 1DR1 paved the modeling with high confidence. The superimposition of the predicted template structures revealed the sequence identity of more than 30% and  RMSD values of 4vs.1, 4vs.2, 4vs.3 and 4vs.5 and RMSD values 0.094, 0.093, 0.094 and 0.108 respectively; it comes under the expected range of