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
2xuq	TZ4	Acetylcholinesterase	3.1.1.7

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2xuq	TZ4	Acetylcholinesterase	3.1.1.7	1.000
2xuo	TZ4	Acetylcholinesterase	3.1.1.7	0.603
2xup	TZ5	Acetylcholinesterase	3.1.1.7	0.583
1q83	TZ5	Acetylcholinesterase	3.1.1.7	0.543
2xuk	TZ5	Acetylcholinesterase	3.1.1.7	0.531
2xuj	TZ5	Acetylcholinesterase	3.1.1.7	0.528
2xuf	TZ4	Acetylcholinesterase	3.1.1.7	0.524
2xuh	TZ4	Acetylcholinesterase	3.1.1.7	0.520
2xug	TZ4	Acetylcholinesterase	3.1.1.7	0.500
2xui	TZ5	Acetylcholinesterase	3.1.1.7	0.463
2whq	HI6	Acetylcholinesterase	3.1.1.7	0.462
2jf0	HBP	Acetylcholinesterase	3.1.1.7	0.457
2j3q	TFL	Acetylcholinesterase	3.1.1.7	0.445
1q84	TZ4	Acetylcholinesterase	3.1.1.7	0.443
2ckm	AA7	Acetylcholinesterase	3.1.1.7	0.441