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
2tmn	0FA	Thermolysin	3.4.24.27

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2tmn	0FA	Thermolysin	3.4.24.27	1.000
4tmn	0PK	Thermolysin	3.4.24.27	0.845
6tmn	0PI	Thermolysin	3.4.24.27	0.812
4tln	LNO	Thermolysin	3.4.24.27	0.774
3t8d	UBV	Thermolysin	3.4.24.27	0.637
1qf2	TI3	Thermolysin	3.4.24.27	0.632
4h57	0PJ	Thermolysin	3.4.24.27	0.627
3t74	UBY	Thermolysin	3.4.24.27	0.616
4d9w	X32	Thermolysin	3.4.24.27	0.613
3t8h	UBS	Thermolysin	3.4.24.27	0.611
3t87	UBZ	Thermolysin	3.4.24.27	0.608
3t8c	UBW	Thermolysin	3.4.24.27	0.604
3for	ZNP	Thermolysin	3.4.24.27	0.600
3fgd	BYA	Thermolysin	3.4.24.27	0.541
3f28	S7B	Thermolysin	3.4.24.27	0.463
2j3q	TFL	Acetylcholinesterase	3.1.1.7	0.446
4ara	C56	Acetylcholinesterase	3.1.1.7	0.441