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
2r6k	GTX	Glutathione S-transferase A1	2.5.1.18

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2r6k	GTX	Glutathione S-transferase A1	2.5.1.18	1.000
3l0h	GTX	Glutathione S-transferase A1	2.5.1.18	0.666
2r3x	GTX	Glutathione S-transferase A1	2.5.1.18	0.619
1guh	GSB	Glutathione S-transferase A1	2.5.1.18	0.567
1uae	UD1	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	/	0.458
1b48	HAG	Glutathione S-transferase A4	2.5.1.18	0.457
2zev	IPE	Geranylgeranyl pyrophosphate synthase	/	0.450
3bw4	FMN	Putative 2-nitropropane dioxygenase	/	0.446
1qs2	NAD	Vip2Ac	/	0.443
4qfx	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.443
4a1o	AMZ	Bifunctional purine biosynthesis protein PurH	2.1.2.3	0.442