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 |
|---|---|---|---|
| 2fxu | BID | Actin, alpha skeletal muscle |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2fxu | BID | Actin, alpha skeletal muscle | / | 1.000 | |
| 1wua | AP8 | Actin, alpha skeletal muscle | / | 0.568 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.495 | |
| 3eku | CY9 | Actin-5C | / | 0.474 | |
| 2yq9 | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.463 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.460 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 1c7o | PPG | Hemolysin | / | 0.457 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.457 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.454 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.454 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.452 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.451 | |
| 2ejz | SAH | Diphthine synthase | / | 0.450 | |
| 1uma | IN2 | Prothrombin | 3.4.21.5 | 0.449 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.448 | |
| 2bri | ANP | Uridylate kinase | 2.7.4.22 | 0.448 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 2g25 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.447 | |
| 3oet | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.447 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.446 | |
| 2g5w | 8PG | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.446 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.446 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.446 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.446 | |
| 5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.446 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.445 | |
| 3k3e | PDB | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 3tqa | NDP | Dihydrofolate reductase | / | 0.444 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.443 | |
| 3nut | SAH | Precorrin-3 methylase | / | 0.443 | |
| 3qi4 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.441 | |
| 1icq | OPD | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.440 | |
| 2fut | H1S | Heparin and heparin-sulfate lyase | / | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 3dme | FAD | Putative conserved exported protein | / | 0.440 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.440 |