sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2pg0 | FAD | Acyl-CoA dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2pg0 | FAD | Acyl-CoA dehydrogenase | / | 1.000 | |
| 5ahs | FAD | Acyl-CoA dehydrogenase | / | 0.535 | |
| 3p4t | FAO | Putative acyl-CoA dehydrogenase | / | 0.522 | |
| 5af7 | FAD | Acyl-CoA dehydrogenase | / | 0.509 | |
| 3owa | FAD | Acyl-CoA dehydrogenase | / | 0.499 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.496 | |
| 1jqi | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | / | 0.482 | |
| 4p13 | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.467 | |
| 4dri | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.459 | |
| 4dri | RAP | Peptidyl-prolyl cis-trans isomerase FKBP5 | 5.2.1.8 | 0.459 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.457 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.451 | |
| 4mlp | 2CX | Cryptochrome-2 | / | 0.450 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 1eq2 | ADQ | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.448 | |
| 4kcf | AKM | FAD-dependent oxidoreductase | / | 0.448 | |
| 2xaa | NAD | Secondary alcohol dehydrogenase | / | 0.447 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.447 | |
| 2gil | GTP | Ras-related protein Rab-6A | / | 0.442 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.442 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.442 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.441 | |
| 1tys | DHF | Thymidylate synthase | / | 0.440 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.440 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.440 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.440 | |
| 4ez8 | DHF | Thymidylate synthase | 2.1.1.45 | 0.440 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.440 |