sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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
3tqa	NDP	Dihydrofolate reductase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3tqa	NDP	Dihydrofolate reductase	/	1.000
1dg8	NDP	Dihydrofolate reductase	1.5.1.3	0.544
3qls	NDP	Dihydrofolate reductase	1.5.1.3	0.529
4kl9	NDP	Dihydrofolate reductase	1.5.1.3	0.496
1j3j	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.493
8dfr	NDP	Dihydrofolate reductase	1.5.1.3	0.491
3clb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.488
3hbb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.486
3dg8	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.483
2w3b	NDP	Dihydrofolate reductase	1.5.1.3	0.463