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
4qfx	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4qfx	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	1.000
4bzb	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.576
4to2	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.527
4qg0	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.501
4qfz	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.500
4to3	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.498
4tnz	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.481
4qfy	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.478
4qg1	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.467
4rxq	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.460
4to4	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.459
4zwe	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.459
4to6	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.456
4rxr	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.445
4rxs	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.444
4rxp	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.443