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
1mj3	HXC	Enoyl-CoA hydratase, mitochondrial	4.2.1.17

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1mj3	HXC	Enoyl-CoA hydratase, mitochondrial	4.2.1.17	1.000
1dub	CAA	Enoyl-CoA hydratase, mitochondrial	4.2.1.17	0.524
3q0g	BCO	Probable enoyl-CoA hydratase echA8	4.2.1.17	0.480
4qij	1HA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.474
3q0g	COA	Probable enoyl-CoA hydratase echA8	4.2.1.17	0.471
1jxz	BCA	4-chlorobenzoyl coenzyme A dehalogenase	3.8.1.7	0.455
4i42	1HA	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.454
5aaj	HSC	Peroxisomal bifunctional enzyme	1.1.1.35	0.445
4qii	2NE	1,4-dihydroxy-2-naphthoyl-CoA synthase	/	0.443