Morphing Movie

Morphing between atomic structures can be calculated wih the morph command and played back in an animation. This movie shows morphing between two conformations of the FGFR1 kinase domain:

• inactive structure (PDB 3C4F, chain A)
• activated structure (PDB 3GQI, chain A) with phosphorylated tyrosines and bound ATP analog

The tyrosine side chains and ATP analog are color-coded by element: light blue carbon, red oxygen, blue nitrogen, and orange phosphorus.

Morphing and other setup was done with the command file kmorph-prep.cxc, followed by interactively positioning the structure and saving the view, then running kmorph-play.cxc to add 2D labels and record the movie.

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Cyclodextrin Pore

The outer-membrane protein CymA admits bulky molecules into the periplasmic space of Klebsiella oxytoca. Here, CymA (PDB 4d5d chain A) is depicted in a style reminiscent of a diagnostic X-ray, with transparent molecular surface and β-strand “ribs” in white. The protein has ingested α-cyclodextrin (top) and β-cyclodextrin (bottom), bound at the entry site and near the exit, respectively. Cyclodextrin carbon atoms are shown in blue-gray and oxygen atoms in brick red. For image setup, see the command file xray.cxc.

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