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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
4n5nNAPAcetoacetyl-CoA reductase1.1.1.36

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4n5nNAPAcetoacetyl-CoA reductase1.1.1.361.000
4nbwNADShort-chain dehydrogenase/reductase SDR/0.518
3sj7NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative/0.512
4fw8NAI3-oxoacyl-(Acyl-carrier-protein) reductase/0.502
4qecNAPElxO/0.498
4k6fNAPPutative Acetoacetyl-CoA reductase/0.495
2fr0NDP6-deoxyerythronolide-B synthase EryA1, modules 1 and 2/0.481
4dc0NDPPutative ketoacyl reductase1.3.10.481
1g6kNADGlucose 1-dehydrogenase1.1.1.470.478
4dbzNDPPutative ketoacyl reductase1.3.10.478
2hsdNAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase1.1.1.530.469
4ure1PSCyclohexanol dehydrogenase/0.466
1pq944BOxysterols receptor LXR-beta/0.462
3tscNADUncharacterized protein/0.459
4biiPYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.454
4qedNAPElxO/0.454
4hp8NAP2-deoxy-D-gluconate 3-dehydrogenase/0.452
4q71FADBifunctional protein PutA/0.448
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.446
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.446
5jlaNADPutative short-chain dehydrogenase/reductase/0.443