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
1jr4	CL4	Catechol O-methyltransferase	2.1.1.6

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1jr4	CL4	Catechol O-methyltransferase	2.1.1.6	1.000
3a7d	FBN	Catechol O-methyltransferase	2.1.1.6	0.597
3nwe	662	Catechol O-methyltransferase	2.1.1.6	0.552
5fhq	DNC	Catechol O-methyltransferase	2.1.1.6	0.550
2zvj	KOM	Catechol O-methyltransferase	2.1.1.6	0.536
3r6t	LU1	Catechol O-methyltransferase	2.1.1.6	0.496
3nwb	659	Catechol O-methyltransferase	2.1.1.6	0.484
3ozt	OZZ	Catechol O-methyltransferase	2.1.1.6	0.482
3ozs	OZS	Catechol O-methyltransferase	2.1.1.6	0.473
3nw9	637	Catechol O-methyltransferase	2.1.1.6	0.453