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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
2h12CMXCitrate synthase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2h12CMXCitrate synthase/1.000
2r26CMCCitrate synthase2.3.3.160.570
1aj8COACitrate synthase/0.559
2r9eSDXCitrate synthase2.3.3.160.547
5ctsCMCCitrate synthase, mitochondrial2.3.3.10.524
6ctsCICCitrate synthase, mitochondrial2.3.3.10.524
3cscACOCitrate synthase, mitochondrial2.3.3.10.510
1ixeCOACitrate synthase/0.501
1cscCMCCitrate synthase, mitochondrial2.3.3.10.491