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
4a16	H34	Acetylcholinesterase	3.1.1.7

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4a16	H34	Acetylcholinesterase	3.1.1.7	1.000
1ut6	A8N	Acetylcholinesterase	3.1.1.7	0.478
2xui	TZ5	Acetylcholinesterase	3.1.1.7	0.470
2xuk	TZ5	Acetylcholinesterase	3.1.1.7	0.467
4ey7	E20	Acetylcholinesterase	3.1.1.7	0.458
2xup	TZ5	Acetylcholinesterase	3.1.1.7	0.454
4m0f	1YK	Acetylcholinesterase	3.1.1.7	0.452
2ha6	SCK	Acetylcholinesterase	3.1.1.7	0.450
4ey6	GNT	Acetylcholinesterase	3.1.1.7	0.450
1zgb	A1E	Acetylcholinesterase	3.1.1.7	0.447
2cmf	F11	Acetylcholinesterase	3.1.1.7	0.446
1zgc	A2E	Acetylcholinesterase	3.1.1.7	0.443
2xuq	TZ4	Acetylcholinesterase	3.1.1.7	0.443
1q84	TZ4	Acetylcholinesterase	3.1.1.7	0.441
4arb	C57	Acetylcholinesterase	3.1.1.7	0.440