An Idea for Visualizing Receptor/Ligand X-Ray Structures


As an organic chemist, I have always had difficulty relating the 3D PDB/X-ray structures of receptor/ligand complexes to the 2D chemical drawing chemist build their “chemical insight” off of. In the figure above, I present an idea to bridge the gap by presenting sets of receptor residues as “surfaces” interacting with the two types of 2D representations chemists use to think about chemistry.



  1. Jin, L.; Martynowski, D.; Zheng, S.; Wada, T.; Xie, W.; Li, Y.; Mol. Endocrinol. 2010, 24, 923-929
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This work by Eugene Douglass and Chad Miller is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported License.


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