insightii molecular modeling software  (Accelrys)

Journal: Molecular genetics and metabolism

Article Title: Outcomes and genotype-phenotype correlations in 52 individuals with VLCAD deficiency diagnosed by NBS and enrolled in the IBEM-IS database

doi: 10.1016/j.ymgme.2016.05.007

Figure Lengend Snippet: Ribbon representation of VLCAD crystal structure, modeled using the published atomic coordinates of the VLCAD monomer, PDB code: 3B96. Modeled is the dimer form, lacking the C-termini disordered regions, and palmitoyl-CoA at the active sites. Depicting mutation positions are in CPK using the InsightII Modeling software (Dassault Systèmes, BIOVIA Corp – formerly Accelrys Technologies, San Diego, CA). Subunits A and B are colored light jade and gray, respectively. The novel mutations described in this manuscript are represented in different colored CPK and are described in the text and Table 2. The stick structures of FAD and palmitoyl-CoA are colored yellow and green, respectively. The stick structure of Glu462 (precursor numbering, Glu422 in mature numbering; GenBank accession number P49748.1), the catalytic base, is colored red. The view in panel A emphasizes the homology to other ACADs while in panel B shows the monomer interface. Note the mutations at the monomer interface, predicting a destabilizing effect on the dimer assembly.

Article Snippet: Depicting mutation positions are in CPK using the InsightII Modeling software (Dassault Systèmes, BIOVIA Corp – formerly Accelrys Technologies, San Diego, CA).

Techniques: Mutagenesis, Software