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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
2wmeNAPNAD/NADP-dependent betaine aldehyde dehydrogenase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2wmeNAPNAD/NADP-dependent betaine aldehyde dehydrogenase/1.000
4v37NADBetaine aldehyde dehydrogenase, chloroplastic1.2.1.80.473
4nmkNAPAldehyde dehydrogenase/0.470
3hazNADBifunctional protein PutA/0.468
2ehuNAD1-pyrroline-5-carboxylate dehydrogenase/0.461
3ju8NADN-succinylglutamate 5-semialdehyde dehydrogenase1.2.1.710.459
1o01NADAldehyde dehydrogenase, mitochondrial1.2.1.30.457
1nzxNADAldehyde dehydrogenase, mitochondrial1.2.1.30.451
2j5nNAD1-pyrroline-5-carboxylate dehydrogenase/0.451
2onpNADAldehyde dehydrogenase, mitochondrial1.2.1.30.451
4fqfNADAldehyde dehydrogenase, mitochondrial1.2.1.30.450
1bxsNADRetinal dehydrogenase 11.2.1.360.449
2ehqNAP1-pyrroline-5-carboxylate dehydrogenase/0.448
2j40NAD1-pyrroline-5-carboxylate dehydrogenase/0.448
3lnsNAPNAD(P)-dependent benzaldehyde dehydrogenase1.2.1.280.446
2bhpNAD1-pyrroline-5-carboxylate dehydrogenase/0.445
2eiiNAD1-pyrroline-5-carboxylate dehydrogenase/0.444
1o00NADAldehyde dehydrogenase, mitochondrial1.2.1.30.442
4pz2NADAldehyde dehydrogenase 2-6/0.440