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 |
|---|---|---|---|
| 3t8c | UBW | Thermolysin | 3.4.24.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3t8c | UBW | Thermolysin | 3.4.24.27 | 1.000 | |
| 3t87 | UBZ | Thermolysin | 3.4.24.27 | 0.942 | |
| 4d9w | X32 | Thermolysin | 3.4.24.27 | 0.898 | |
| 1qf2 | TI3 | Thermolysin | 3.4.24.27 | 0.670 | |
| 3t74 | UBY | Thermolysin | 3.4.24.27 | 0.665 | |
| 3t8d | UBV | Thermolysin | 3.4.24.27 | 0.664 | |
| 2tmn | 0FA | Thermolysin | 3.4.24.27 | 0.661 | |
| 4h57 | 0PJ | Thermolysin | 3.4.24.27 | 0.660 | |
| 6tmn | 0PI | Thermolysin | 3.4.24.27 | 0.651 | |
| 4tmn | 0PK | Thermolysin | 3.4.24.27 | 0.636 | |
| 4tln | LNO | Thermolysin | 3.4.24.27 | 0.634 | |
| 3t8h | UBS | Thermolysin | 3.4.24.27 | 0.632 | |
| 3fgd | BYA | Thermolysin | 3.4.24.27 | 0.602 | |
| 3for | ZNP | Thermolysin | 3.4.24.27 | 0.599 | |
| 3f28 | S7B | Thermolysin | 3.4.24.27 | 0.495 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.470 | |
| 4bfs | ZVS | Pantothenate kinase | 2.7.1.33 | 0.466 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.463 | |
| 2get | COK | Pantothenate kinase | 2.7.1.33 | 0.460 | |
| 4zr5 | RDF | Neprilysin | / | 0.454 | |
| 1h2b | NAJ | NAD-dependent alcohol dehydrogenase | / | 0.451 | |
| 2ylr | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.451 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.451 | |
| 4gyy | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.451 | |
| 1k4m | NAD | Nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 0.449 | |
| 1v0j | FAD | UDP-galactopyranose mutase | 5.4.99.9 | 0.449 | |
| 2xs4 | ALA_PHE_THR | Karilysin | 3.4.24 | 0.449 | |
| 3bj7 | COA | Diamine acetyltransferase 1 | / | 0.448 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.448 | |
| 1mok | FAD | 2-oxopropyl-CoM reductase, carboxylating | 1.8.1.5 | 0.447 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.447 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.447 | |
| 4wso | NAD | Probable nicotinate-nucleotide adenylyltransferase | / | 0.447 | |
| 2ilv | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.446 | |
| 4xr9 | NAD | CalS8 | / | 0.446 | |
| 1dj2 | GDP | Adenylosuccinate synthetase, chloroplastic | / | 0.445 | |
| 1f8s | FAD | L-amino-acid oxidase | 1.4.3.2 | 0.445 | |
| 4d03 | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.445 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.444 | |
| 2a0y | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.444 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.444 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4nv1 | TYD | Formyl transferase | / | 0.444 | |
| 4hyv | PEP | Pyruvate kinase 1 | 2.7.1.40 | 0.443 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.442 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.442 | |
| 3lzw | NAP | Ferredoxin--NADP reductase 2 | 1.18.1.2 | 0.442 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 4eu5 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.441 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4rnw | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 2wb2 | FAD | RE11660p | / | 0.440 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.440 | |
| 4qai | FMN | NADPH dehydrogenase | / | 0.440 |