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
4b6r	3DQ	3-dehydroquinate dehydratase	4.2.1.10

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4b6r	3DQ	3-dehydroquinate dehydratase	4.2.1.10	1.000
4b6s	2HN	3-dehydroquinate dehydratase	4.2.1.10	0.546
2xb9	XNW	3-dehydroquinate dehydratase	4.2.1.10	0.529
2cjf	RP4	3-dehydroquinate dehydratase	4.2.1.10	0.500
2xda	JPS	3-dehydroquinate dehydratase	4.2.1.10	0.489
3n87	N87	3-dehydroquinate dehydratase	4.2.1.10	0.485
2bt4	CA2	3-dehydroquinate dehydratase	4.2.1.10	0.473
4eb5	PLP	Cysteine desulfurase IscS 2	/	0.452
2wks	CB6	3-dehydroquinate dehydratase	4.2.1.10	0.448
5dp2	NAP	CurF	/	0.443
2a59	LMZ	6,7-dimethyl-8-ribityllumazine synthase	2.5.1.78	0.441
3n76	CA2	3-dehydroquinate dehydratase	4.2.1.10	0.440