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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
2f17PYIThiamin pyrophosphokinase 12.7.6.2

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2f17PYIThiamin pyrophosphokinase 12.7.6.21.000
3cosNADAlcohol dehydrogenase 41.1.1.10.462
2wezZYEBeta-secretase 13.4.23.460.456
3vf30GSBeta-secretase 13.4.23.460.454
4b1c1B1Beta-secretase 13.4.23.460.452
2hizLIJBeta-secretase 13.4.23.460.450
4k8s1QTBeta-secretase 13.4.23.460.450
1j21ATPArgininosuccinate synthase/0.448
3cic316Beta-secretase 13.4.23.460.448
3dm6757Beta-secretase 13.4.23.460.448
3k5c0BIBeta-secretase 13.4.23.460.448
1ig0VIBThiamine pyrophosphokinase2.7.6.20.446
3lpkZ76Beta-secretase 13.4.23.460.445
3udj092Beta-secretase 13.4.23.460.444
4b7754MBeta-secretase 13.4.23.460.444
4ewo996Beta-secretase 13.4.23.460.443
3dy85GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.442
4d89BXDBeta-secretase 13.4.23.460.442
4exg916Beta-secretase 13.4.23.460.442
4l7j1W2Beta-secretase 13.4.23.460.441
1tehNADAlcohol dehydrogenase class-31.1.1.10.440
3exo5MSBeta-secretase 13.4.23.460.440
3fktSIIBeta-secretase 13.4.23.460.440
3rsv3RSBeta-secretase 13.4.23.460.440