10.5452/MA-ANIFJ
Bruque, Carlos David; Dain, Liliana; Nadra, Alejandro Daniel
CYP21A2Bruque2016
modelarchive.org
2020
3D macromolecular model
2020-04-11
en
A model of the human CYP21A2 protein based on the structure of the bovine CYP21A2 (PDB ID: 3QZ1) was generated using MODELLER version 9.11 including heme cofactor explicitly. Amino acid sequence was taken from UniProt (NP_000491.4) while alignments were performed with MEGA 4 software. A significant improvement of the model was obtained by manually displacing L129 in the automatic alignment and iterative loop refinement. The use of multiple templates of other proteins of the CYP family did not improve the model. Model’s quality was assessed by DOPE, QMEAN Z-scores and Ramachandran plots.