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 |
|---|---|---|---|
| 3t8h | UBS | Thermolysin | 3.4.24.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3t8h | UBS | Thermolysin | 3.4.24.27 | 1.000 | |
| 3t8d | UBV | Thermolysin | 3.4.24.27 | 0.964 | |
| 3t74 | UBY | Thermolysin | 3.4.24.27 | 0.859 | |
| 4tln | LNO | Thermolysin | 3.4.24.27 | 0.687 | |
| 2tmn | 0FA | Thermolysin | 3.4.24.27 | 0.658 | |
| 4h57 | 0PJ | Thermolysin | 3.4.24.27 | 0.657 | |
| 6tmn | 0PI | Thermolysin | 3.4.24.27 | 0.655 | |
| 4tmn | 0PK | Thermolysin | 3.4.24.27 | 0.649 | |
| 3t87 | UBZ | Thermolysin | 3.4.24.27 | 0.648 | |
| 4d9w | X32 | Thermolysin | 3.4.24.27 | 0.626 | |
| 3t8c | UBW | Thermolysin | 3.4.24.27 | 0.625 | |
| 1qf2 | TI3 | Thermolysin | 3.4.24.27 | 0.613 | |
| 3for | ZNP | Thermolysin | 3.4.24.27 | 0.576 | |
| 3fgd | BYA | Thermolysin | 3.4.24.27 | 0.543 | |
| 4zr5 | RDF | Neprilysin | / | 0.486 | |
| 4ca5 | 3EF | Angiotensin-converting enzyme | 3.2.1 | 0.467 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.465 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.465 | |
| 3f28 | S7B | Thermolysin | 3.4.24.27 | 0.464 | |
| 4bby | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.461 | |
| 3c8a | ARG_ARG_GLY_LEU_NH2 | Botulinum neurotoxin type A | 3.4.24.69 | 0.459 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.459 | |
| 3vil | SA0 | Beta-glucosidase | / | 0.458 | |
| 4nv1 | TYD | Formyl transferase | / | 0.456 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.452 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.451 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.449 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.449 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 2ejz | SAH | Diphthine synthase | / | 0.447 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.447 | |
| 1gox | FMN | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.445 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.445 | |
| 1mxf | MTX | Putative pteridine reductase 2 | / | 0.444 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.444 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4gz6 | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.444 | |
| 2g76 | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.443 | |
| 4brg | GNP | Ectonucleoside triphosphate diphosphohydrolase I | / | 0.443 | |
| 2p2j | PRX | Acetyl-coenzyme A synthetase | / | 0.442 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 4rvn | COA | Phenylacetate-coenzyme A ligase | / | 0.441 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2igq | SAH | Histone-lysine N-methyltransferase EHMT1 | / | 0.440 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.440 |