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 |
|---|---|---|---|
| 1e2n | RCA | Thymidine kinase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1e2n | RCA | Thymidine kinase | / | 1.000 | |
| 1e2j | THM | Thymidine kinase | / | 0.542 | |
| 4ivr | N50 | Thymidine kinase | / | 0.528 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.481 | |
| 4ivq | I43 | Thymidine kinase | / | 0.480 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.472 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.454 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.454 | |
| 3hy7 | 097 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 3.4.24 | 0.451 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.450 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.448 | |
| 1typ | FAD | Trypanothione reductase | 1.8.1.12 | 0.446 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.444 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3znq | SS8 | D-amino-acid oxidase | 1.4.3.3 | 0.442 | |
| 1e2k | TMC | Thymidine kinase | / | 0.441 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2fja | FAD | Adenylylsulfate reductase, subunit A (AprA) | / | 0.440 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.440 | |
| 3djj | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.440 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.440 |