Insight into structural rearrangements and interdomain interactions related to electron transfer between flavin mononucleotide and heme in nitric oxide synthase: A molecular dynamics study

Comparison of the dynamics and structures of an iNOS construct at two oxidation states identified key factors related to the FMN-heme interdomain electron transfer . The computational results demonstrated that the FMN domain motion is redox dependent. The interactions ensure that the FMN domain moves with appropriate degree of freedom.128