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
4to3	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4to3	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	1.000
4qg0	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.573
4tny	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.554
4qg1	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.543
4rxs	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.535
4to6	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.516
4zwe	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.514
4bzb	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.508
4to5	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.507
4qfz	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.498
4rxr	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.498
4to1	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.498
4rxq	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.483
4to4	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.465
4rxp	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.461
4qfy	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.456