sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Distribution of Cavity similarities measured by Shaper

You can zoom onto the graph by using the mouse to make a selection

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
3af3	GCP	Pantothenate kinase	2.7.1.33

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3af3	GCP	Pantothenate kinase	2.7.1.33	1.000
3af2	ACP	Pantothenate kinase	2.7.1.33	0.666
2get	COK	Pantothenate kinase	2.7.1.33	0.586
3af4	GCP	Pantothenate kinase	2.7.1.33	0.581
2zsd	COA	Pantothenate kinase	2.7.1.33	0.570
2zsb	ADP	Pantothenate kinase	2.7.1.33	0.564
2zsa	ADP	Pantothenate kinase	2.7.1.33	0.562
4bfs	ZVS	Pantothenate kinase	2.7.1.33	0.553
3af0	GDP	Pantothenate kinase	2.7.1.33	0.550
2zse	ACP	Pantothenate kinase	2.7.1.33	0.548
2zs9	ADP	Pantothenate kinase	2.7.1.33	0.532
3af1	GDP	Pantothenate kinase	2.7.1.33	0.529
3aez	GDP	Pantothenate kinase	2.7.1.33	0.527
2gev	COK	Pantothenate kinase	2.7.1.33	0.523
2ges	COK	Pantothenate kinase	2.7.1.33	0.505
2zs8	ADP	Pantothenate kinase	2.7.1.33	0.490
1esm	COA	Pantothenate kinase	2.7.1.33	0.477
4bft	ZVT	Pantothenate kinase	2.7.1.33	0.468
4bfx	ZVX	Pantothenate kinase	2.7.1.33	0.454