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 |
|---|---|---|---|
| 6tmn | 0PI | Thermolysin | 3.4.24.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 6tmn | 0PI | Thermolysin | 3.4.24.27 | 1.000 | |
| 2tmn | 0FA | Thermolysin | 3.4.24.27 | 0.789 | |
| 4tmn | 0PK | Thermolysin | 3.4.24.27 | 0.776 | |
| 4tln | LNO | Thermolysin | 3.4.24.27 | 0.733 | |
| 4h57 | 0PJ | Thermolysin | 3.4.24.27 | 0.659 | |
| 1qf2 | TI3 | Thermolysin | 3.4.24.27 | 0.646 | |
| 3t74 | UBY | Thermolysin | 3.4.24.27 | 0.628 | |
| 3t8d | UBV | Thermolysin | 3.4.24.27 | 0.608 | |
| 3t8h | UBS | Thermolysin | 3.4.24.27 | 0.597 | |
| 4d9w | X32 | Thermolysin | 3.4.24.27 | 0.591 | |
| 3t87 | UBZ | Thermolysin | 3.4.24.27 | 0.586 | |
| 3t8c | UBW | Thermolysin | 3.4.24.27 | 0.584 | |
| 3for | ZNP | Thermolysin | 3.4.24.27 | 0.560 | |
| 3fgd | BYA | Thermolysin | 3.4.24.27 | 0.535 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.459 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.450 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 3f2p | S3B | Thermolysin | 3.4.24.27 | 0.447 | |
| 3f28 | S7B | Thermolysin | 3.4.24.27 | 0.446 | |
| 2gyw | OBI | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.443 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 4ca5 | 3EF | Angiotensin-converting enzyme | 3.2.1 | 0.441 |