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 |
|---|---|---|---|
| 3t87 | UBZ | Thermolysin | 3.4.24.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3t87 | UBZ | Thermolysin | 3.4.24.27 | 1.000 | |
| 3t8c | UBW | Thermolysin | 3.4.24.27 | 0.893 | |
| 4d9w | X32 | Thermolysin | 3.4.24.27 | 0.866 | |
| 1qf2 | TI3 | Thermolysin | 3.4.24.27 | 0.667 | |
| 4h57 | 0PJ | Thermolysin | 3.4.24.27 | 0.662 | |
| 3t8d | UBV | Thermolysin | 3.4.24.27 | 0.641 | |
| 2tmn | 0FA | Thermolysin | 3.4.24.27 | 0.640 | |
| 6tmn | 0PI | Thermolysin | 3.4.24.27 | 0.639 | |
| 3t8h | UBS | Thermolysin | 3.4.24.27 | 0.627 | |
| 3t74 | UBY | Thermolysin | 3.4.24.27 | 0.624 | |
| 4tmn | 0PK | Thermolysin | 3.4.24.27 | 0.624 | |
| 4tln | LNO | Thermolysin | 3.4.24.27 | 0.603 | |
| 3fgd | BYA | Thermolysin | 3.4.24.27 | 0.599 | |
| 3for | ZNP | Thermolysin | 3.4.24.27 | 0.576 | |
| 3f28 | S7B | Thermolysin | 3.4.24.27 | 0.484 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.480 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.469 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.456 | |
| 4zr5 | RDF | Neprilysin | / | 0.453 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 1ygk | RRC | Pyridoxal kinase | 2.7.1.35 | 0.452 | |
| 3f2p | S3B | Thermolysin | 3.4.24.27 | 0.449 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.448 | |
| 2xs4 | ALA_PHE_THR | Karilysin | 3.4.24 | 0.445 | |
| 2z9d | FMN | FMN-dependent NADH-azoreductase | / | 0.445 | |
| 3mau | EXT | Putative sphingosine-1-phosphate lyase | / | 0.445 | |
| 3mp3 | HGG | Hydroxymethylglutaryl-CoA lyase, mitochondrial | 4.1.3.4 | 0.444 | |
| 1k4m | NAD | Nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 0.443 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.443 | |
| 3keu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.443 | |
| 4gyy | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.443 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.442 | |
| 3lzw | NAP | Ferredoxin--NADP reductase 2 | 1.18.1.2 | 0.441 |