Protein tertiary structural changes visualized by time-resolved X-ray solution scattering.
We obtained a solution structural model of myoglobin (Mb) formed upon the CO photolysis of MbCO by analyzing time-resolved X-ray solution scattering data. An experiment-restrained rigid-body molecular dynamics simulation was used to find the best model whose theoretical difference scattering curve gives a satisfactory agreement with the experimental data at the time delay of 10 ns. The obtained solution model shows structural changes similar to crystallographic models for MbCO --> Mb but also displays a noticeable difference in that the N-terminus and F helix show larger structural changes.
Ahn
Sena
S
Kim
Kyung Hwan
KH
Kim
Youngmin
Y
Kim
Jeongho
J
Ihee
Hyotcherl
H
D002248:Carbon Monoxide / Q000737:chemistry; D003198:Computer Simulation; D008958:Models, Molecular; D009211:Myoglobin / Q000737:chemistry*; D010782:Photolysis; D017434:Protein Structure, Tertiary; D012542:Scattering, Radiation; D014965:X-Rays
D009211:Myoglobin; D002248:Carbon Monoxide