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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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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
4afeGGYSerine/threonine-protein kinase Nek22.7.11.1

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4afeGGYSerine/threonine-protein kinase Nek22.7.11.11.000
4a4xJUPSerine/threonine-protein kinase Nek22.7.11.10.798
2xk4OL2Serine/threonine-protein kinase Nek22.7.11.10.645
2xk730ESerine/threonine-protein kinase Nek22.7.11.10.607
2xkc4VQSerine/threonine-protein kinase Nek22.7.11.10.541
2xnpWCXSerine/threonine-protein kinase Nek22.7.11.10.539
2xk85R1Serine/threonine-protein kinase Nek22.7.11.10.518
2xnn430Serine/threonine-protein kinase Nek22.7.11.10.490
2xk3XK3Serine/threonine-protein kinase Nek22.7.11.10.485
2xkeWI2Serine/threonine-protein kinase Nek22.7.11.10.469
4j531J4Serine/threonine-protein kinase PLK12.7.11.210.461
2owb626Serine/threonine-protein kinase PLK12.7.11.210.457
2xkdT3MSerine/threonine-protein kinase Nek22.7.11.10.457
4j521J3Serine/threonine-protein kinase PLK12.7.11.210.457
5bn3ADPV-type ATP synthase alpha chain/0.457
5bn3ADPNEQ263/0.457
2yac937Serine/threonine-protein kinase PLK12.7.11.210.456
2xk6EQHSerine/threonine-protein kinase Nek22.7.11.10.450
4a4o664Serine/threonine-protein kinase PLK12.7.11.210.449
2wqoVGKSerine/threonine-protein kinase Nek22.7.11.10.448
2xkfBX1Serine/threonine-protein kinase Nek22.7.11.10.446
4i6f1C7Serine/threonine-protein kinase PLK22.7.11.210.445
1yc2NADNAD-dependent protein deacylase 2/0.443