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
4rxs	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4rxs	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	1.000
4tny	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.561
4rxq	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.539
4qg0	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.533
4to3	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.528
4rxp	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.511
4to5	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.506
4qg1	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.502
4zwe	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.481
4qfy	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.475
4to6	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.474
4to1	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.470
4to4	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.465
4rxr	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.448
4bzb	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.446