proteins are „3d jigsaw-puzzles“ · 2012. 4. 26. · solvent with ionic strength i (high e)...
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Proteins are „3D Jigsaw-Puzzles“
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Hydrogen Bonds in BPTI
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Hydrogen Bonds in BPTI
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Protein continuum electrostatics
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X-Ray Crystallography
various protein crystal forms
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X-Ray Crystallography
experimental setup
typical diffraction pattern
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Electron density from x-ray
One single atom
real space
Fourier space
phase
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Electron density from x-ray
One single atom - shifted
real space
Fourier space
phase
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Electron density from x-ray
Two atoms
real space
Fourier space
phase
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Electron density from x-ray
One “molecule“
real space
Fourier space
phase
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Electron density from x-ray
3 x 3 unit cells
real space
Fourier space
phase
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Electron density from x-ray
5 x 5 unit cells
real space
Fourier space
phase
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Electron density from x-ray
10 x 10 unit cells
real space
Fourier space
phase
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X-Ray Crystallography
Levels of resolution
Effect of temperature
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BPTI: Molecular Dynamics (300K)
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A model of Bacteriorhodopsin
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BR photocycle
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t [ps]
C13 – C14
C14 – C15
13-14
14-15
NH
H N
Prot.
hν
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W. Zinth et. al.
Time-resolved Pump-Probe Spectrum of Sensorhodopsin
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W. Zinth et. al.
BR J
J K
hν