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 |
|---|---|---|---|
| 3nhx | ASD | Steroid Delta-isomerase | 5.3.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nhx | ASD | Steroid Delta-isomerase | 5.3.3.1 | 1.000 | |
| 3ov4 | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.569 | |
| 3nuv | ASD | Steroid Delta-isomerase | 5.3.3.1 | 0.513 | |
| 1qjg | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.495 | |
| 3nbr | ASD | Steroid Delta-isomerase | 5.3.3.1 | 0.495 | |
| 1w6y | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.492 | |
| 3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.481 | |
| 3ows | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.476 | |
| 3owy | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.476 | |
| 1oh0 | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.474 | |
| 4yqf | GDP | Septin-9 | / | 0.474 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.474 | |
| 1xh5 | R68 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.473 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.468 | |
| 3q2j | CKI | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.468 | |
| 1b5t | FAD | 5,10-methylenetetrahydrofolate reductase | 1.5.1.20 | 0.462 | |
| 1pr5 | TBN | Purine nucleoside phosphorylase DeoD-type | / | 0.462 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 1e3v | DXC | Steroid Delta-isomerase | 5.3.3.1 | 0.460 | |
| 5dhh | DGW | Nociceptin receptor | / | 0.460 | |
| 1hnc | GDN | Glutathione S-transferase Mu 2 | 2.5.1.18 | 0.456 | |
| 1u30 | GOX | Pancreatic alpha-amylase | / | 0.456 | |
| 1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.454 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.452 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2z4y | 252 | Geranylgeranyl pyrophosphate synthase | / | 0.450 | |
| 4a84 | DXC | Major pollen allergen Bet v 1-A | / | 0.450 | |
| 4mub | OAQ | Sulfotransferase oxamniquine resistance protein | / | 0.450 | |
| 1u33 | LM2 | Pancreatic alpha-amylase | / | 0.449 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.449 | |
| 1nht | PGS | Adenylosuccinate synthetase | / | 0.448 | |
| 2nr4 | FMN | Conserved protein | / | 0.448 | |
| 4hvb | 19P | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 1zdf | UPG | Glycogenin-1 | 2.4.1.186 | 0.447 | |
| 2ad5 | ADP | CTP synthase | / | 0.447 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.447 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.446 | |
| 1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.445 | |
| 2c3q | GTX | Glutathione S-transferase theta-1 | 2.5.1.18 | 0.445 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.445 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.444 | |
| 2flh | ZEA | Cytokinin-specific binding protein | / | 0.444 | |
| 3mt8 | 17T | Glycogen phosphorylase, muscle form | 2.4.1.1 | 0.444 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4pzr | COA | Histone acetyltransferase p300 | / | 0.444 | |
| 4djh | JDC | Kappa-type opioid receptor | / | 0.444 | |
| 1qyx | ASD | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 2zse | ACP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 3c35 | KAI | Glutamate receptor ionotropic, kainate 1 | / | 0.443 | |
| 4cdm | FAD | Deoxyribodipyrimidine photolyase | / | 0.443 | |
| 1xxj | UNC | Uricase | 1.7.3.3 | 0.442 | |
| 2z4w | 749 | Geranylgeranyl pyrophosphate synthase | / | 0.442 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.442 | |
| 1met | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 1snu | STU | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.441 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 3biy | 01K | Histone acetyltransferase p300 | / | 0.441 | |
| 3s56 | ROC | Protease | / | 0.441 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.441 | |
| 5egh | PC | Ectonucleotide pyrophosphatase/phosphodiesterase family member 6 | / | 0.441 | |
| 1bv7 | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1khr | VIR | Streptogramin A acetyltransferase | 2.3.1 | 0.440 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 1tdc | UMP | Thymidylate synthase | / | 0.440 | |
| 1xh6 | R94 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 2ab8 | MTP | Adenosine kinase | 2.7.1.20 | 0.440 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.440 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 4bis | 8HQ | Lysine-specific demethylase 4A | 1.14.11 | 0.440 | |
| 4fad | 0TB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 |