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
3af2	ACP	Pantothenate kinase	2.7.1.33

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3af2	ACP	Pantothenate kinase	2.7.1.33	1.000
3af3	GCP	Pantothenate kinase	2.7.1.33	0.645
3af4	GCP	Pantothenate kinase	2.7.1.33	0.603
2zsb	ADP	Pantothenate kinase	2.7.1.33	0.579
2get	COK	Pantothenate kinase	2.7.1.33	0.568
3af0	GDP	Pantothenate kinase	2.7.1.33	0.555
3af1	GDP	Pantothenate kinase	2.7.1.33	0.549
2zsa	ADP	Pantothenate kinase	2.7.1.33	0.545
2zs9	ADP	Pantothenate kinase	2.7.1.33	0.527
2zsd	COA	Pantothenate kinase	2.7.1.33	0.525
2gev	COK	Pantothenate kinase	2.7.1.33	0.516
4bfs	ZVS	Pantothenate kinase	2.7.1.33	0.506
2zse	ACP	Pantothenate kinase	2.7.1.33	0.486
2zs8	ADP	Pantothenate kinase	2.7.1.33	0.485
2ges	COK	Pantothenate kinase	2.7.1.33	0.484
3aez	GDP	Pantothenate kinase	2.7.1.33	0.477
1esm	COA	Pantothenate kinase	2.7.1.33	0.443