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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
5dibNADBetaine-aldehyde dehydrogenase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
5dibNADBetaine-aldehyde dehydrogenase/1.000
5ez4NADBetaine-aldehyde dehydrogenase/0.604
5eyuNADBetaine-aldehyde dehydrogenase/0.590
1o00NADAldehyde dehydrogenase, mitochondrial1.2.1.30.527
2eitNAD1-pyrroline-5-carboxylate dehydrogenase/0.515
3n82NADAldehyde dehydrogenase, mitochondrial1.2.1.30.501
2onpNADAldehyde dehydrogenase, mitochondrial1.2.1.30.488
2ehuNAD1-pyrroline-5-carboxylate dehydrogenase/0.486
4axaRKDcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.458
4i8pNADAminoaldehyde dehydrogenase 1/0.458
2gesCOKPantothenate kinase2.7.1.330.456
1dfoFFOSerine hydroxymethyltransferase2.1.2.10.454
2jdsL20cAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.451
4f0rMTA5-methylthioadenosine/S-adenosylhomocysteine deaminase/0.451
2gnhH52cAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.449
3zkuHCVIsopenicillin N synthase1.21.3.10.449
2uztSS3cAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.448
4wxg2BOSerine hydroxymethyltransferase/0.447
1ydrIQPcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.443
2xlrFADPutative flavin-containing monooxygenase/0.443
1q8tY27cAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.442
2f7x4EAcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.440