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
3r37	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3r37	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	1.000
3r32	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.660
3r3d	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.650
3r3f	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.645
3r34	COA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.640
3tea	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.638
3r35	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.633
3r3c	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.631
3r3b	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.621
1q4u	4CA	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.602
1q4t	4CO	4-hydroxybenzoyl-CoA thioesterase	3.1.2.23	0.601
1q1r	FAD	Putidaredoxin reductase	1.18.1.5	0.462
1wlv	COA	Phenylacetic acid degradation protein PaaI	/	0.456
4xuh	SFI	Peroxisome proliferator-activated receptor gamma	/	0.452
4xiw	AZM	Carbonic anhydrase, alpha type	/	0.451
2om9	AJA	Peroxisome proliferator-activated receptor gamma	/	0.449
3wmx	NAD	NAD dependent epimerase/dehydratase	/	0.445
4iq7	1G9	Mycocyclosin synthase	1.14.21.9	0.443
2aqh	NAI	Enoyl-[acyl-carrier-protein] reductase [NADH]	1.3.1.9	0.440