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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
3a3yOBNSodium/potassium-transporting ATPase subunit alpha

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3a3yOBNSodium/potassium-transporting ATPase subunit alpha/1.000
4g7gVFVLanosterol 14-alpha-demethylase/0.469
3tk3CPZCytochrome P450 2B41.14.14.10.463
1qlhNADAlcohol dehydrogenase E chain1.1.1.10.454
2b37NADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.454
3gw9VNILanosterol 14-alpha-demethylase/0.452
3zkpERBErythromycin C-12 hydroxylase1.14.13.1540.449
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.448
2ft9CHDFatty acid-binding protein 2, liver/0.446
4ktkKTKCytochrome P450/0.446
2lfoGCHFatty acid-binding protein, liver/0.442
4kuhCAA3-hydroxybutyryl-CoA dehydrogenase/0.442
5adhAPRAlcohol dehydrogenase E chain1.1.1.10.442
2gjnFMNNitronate monooxygenase1.13.12.160.441
2hk9NAPShikimate dehydrogenase (NADP(+))/0.441
3ibdCPZCytochrome P450 2B61.14.130.441
4dreNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.441
4uymVOR14-alpha sterol demethylase Cyp51B/0.441
1bwsNDPGDP-L-fucose synthase/0.440
1k6cMK1Gag-Pol polyprotein3.4.23.160.440
3jynNDPQuinone oxidoreductase/0.440
4d0l093Phosphatidylinositol 4-kinase beta2.7.1.670.440
4jazSTLPeroxisome proliferator-activated receptor gamma/0.440