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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
1hwkADP3-hydroxy-3-methylglutaryl-coenzyme A reductase1.1.1.34

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1hwkADP3-hydroxy-3-methylglutaryl-coenzyme A reductase1.1.1.341.000
1hwjADP3-hydroxy-3-methylglutaryl-coenzyme A reductase1.1.1.340.618
1hw8ADP3-hydroxy-3-methylglutaryl-coenzyme A reductase1.1.1.340.576
2q1l8823-hydroxy-3-methylglutaryl-coenzyme A reductase1.1.1.340.483
4q71FADBifunctional protein PutA/0.473
1t0lNAPIsocitrate dehydrogenase [NADP] cytoplasmic1.1.1.420.456
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.452
2npaMMBPeroxisome proliferator-activated receptor alpha/0.450
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.449
1jpaANPEphrin type-B receptor 22.7.10.10.449
5hwsNAP2-dehydropantoate 2-reductase/0.449
3k3hBYEHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.445
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.445
4bf2STUMitogen-activated protein kinase kinase kinase 52.7.11.250.445
1qorNDPQuinone oxidoreductase 1/0.444
2qtaTDPPyruvate dehydrogenase E1 component1.2.4.10.444
3b7dCNIGlutamate receptor 2/0.443
3gvhNADMalate dehydrogenase/0.443
4e5yNDPGDP-L-fucose synthase1.1.1.2710.440