2.1.2. YqhD Domain

A Rossmann-type domain is involved in NADP cofactor binding. With NADP-bound, the domain shows an average RMSD of 0.17 ± 0.03 nm with slightly higher variations than NADPH-bound (average RMSD of 0.15 ± 0.02 nm). The α-helical domain is a metalbinding domain and has an average RMSD of 0.11 ± 0.02 nm for NADP-bound and 0.13 ± 0.03 nm for NADPH-bound YqhD. Monomers bound to reduced cofactor show slightly higher deviations than monomers bound to oxidized cofactor. Both domains within each monomer become slightly more compact in the simulations with Rg values of 1.57 ± 0.01 for Rossmann-type and 1.63 ± 0.01 for α-helical domains during the simulations, compared to 1.60 nm for Rossmann-type and 1.65 nm for α-helical domains in the crystal structure.
