NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers
The NMR solution structure of BeF(3)(-)-activated Spo0F reveals the conformational switch in a phosphorelay system.
Sporulation initiation phosphotransferase F
MMNEKILIVDDQYGIRILLNEVFNKEGYQTFQAANGLQALDIVTKERPDLVLLDMKIPGMDGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALTHFAKPFDIDEIRDAVKKYLPLKSN
This structure was determined using triple-resonance NMR spectroscopy.
Structure based on a total of 1,835 distance constraints (obtained from 4,221 NOE crosspeaks), including 602 intraresidual, 504 short-range, 310 medium-range, and 383 long-range constraints as well as 165 dihedral angle restraints for a total of 2,000 restraints. DYANA 1.5 anneal command (20000) steps was used to generate 60 conformers. 20 lowest target function structures were analyzed.
Torsion angle dynamics and simulated annealing
1 mM Spo0F, 20 mM HEPES, 50 mM MgCl2, 6 mM BeCl2, and 60 mM NaF, 10% D20
sporulation, (beta/alpha)5 barrel, response regulator, phosphorelay, beryllofluoride, two-component systems, TRANSFERASE