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
1q4u	4CA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1q4u	4CA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	1.000
1q4t	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.650
3r35	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.633
3tea	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.615
3r32	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.600
3r37	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.588
3r3c	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.570
3r34	COA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.568
3r3d	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.567
3r3b	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.559
3r3f	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.556