sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Distribution of Cavity similarities measured by Shaper

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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
5by6	UMP	Thymidylate synthase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
5by6	UMP	Thymidylate synthase	/	1.000
3qj7	UMP	Thymidylate synthase ThyA	/	0.545
4irr	UMP	Thymidylate synthase	/	0.517
4dq1	UMP	Thymidylate synthase	/	0.501
4eb4	UMP	Thymidylate synthase	2.1.1.45	0.487
4ein	NOH	Thymidylate synthase	2.1.1.45	0.480
3dga	UMP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.476
4dpd	UMP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.467
4e5o	UMP	Thymidylate synthase	2.1.1.45	0.458
3dg8	UMP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.451
4psg	NOH	Thymidylate synthase	/	0.450
4fox	UMP	Thymidylate synthase ThyA	/	0.447