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 |
|---|---|---|---|
| 2zro | ADP | Protein RecA |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2zro | ADP | Protein RecA | / | 1.000 | |
| 2zrf | DTP | Protein RecA | / | 0.666 | |
| 2zre | AGS | Protein RecA | / | 0.603 | |
| 2zrj | AGS | Protein RecA | / | 0.594 | |
| 1xp8 | AGS | Protein RecA | / | 0.572 | |
| 2zr9 | DTP | Protein RecA | / | 0.546 | |
| 1xmv | ADP | Protein RecA | / | 0.494 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.477 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.460 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.454 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.454 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.453 | |
| 2i7n | ACO | Pantothenate kinase 1 | 2.7.1.33 | 0.453 | |
| 3vuc | HHE | Renin | 3.4.23.15 | 0.452 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.451 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.450 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.450 | |
| 2c1b | CQP | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.449 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.449 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.448 | |
| 2g22 | 6IG | Renin | 3.4.23.15 | 0.448 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.448 | |
| 3hk1 | B64 | Fatty acid-binding protein, adipocyte | / | 0.448 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.448 | |
| 3cb2 | GDP | Tubulin gamma-1 chain | / | 0.447 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 4z38 | FMN | MlnA | / | 0.447 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.446 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.446 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.445 | |
| 5fl3 | ADP | Pili retraction protein PilT | / | 0.445 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.444 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.443 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.442 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.441 | |
| 4d03 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.441 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.441 | |
| 1ju2 | FAD | (R)-mandelonitrile lyase 2 | 4.1.2.10 | 0.440 |