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
4to1	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4to1	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	1.000
4qg1	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.626
4tny	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.588
4qg0	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.585
4rxq	DUT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.573
4rxs	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.563
4to3	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.556
4qfy	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.553
4rxp	DTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.550
4to5	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.541
4to4	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.540
4to6	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.520
4zwe	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.518
4rxr	DCP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.510
4to2	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.497
4qfz	TTP	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.495
4bzb	DGT	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	3.1.5	0.484