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 |
|---|---|---|---|
| 4h4d | 10E | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4h4d | 10E | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 1.000 | |
| 3kem | IPE | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.626 | |
| 3zgn | 10G | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.584 | |
| 3zgl | 10E | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.515 | |
| 1ju9 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.506 | |
| 3utd | 0CJ | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.501 | |
| 4eb3 | 0O3 | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.496 | |
| 4h4e | 10G | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.496 | |
| 4h4c | 10D | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.482 | |
| 3lsi | FAD | Pyranose 2-oxidase | / | 0.462 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.460 | |
| 2yph | QQY | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.459 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.458 | |
| 3ke8 | EIP | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase | / | 0.454 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.452 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.451 | |
| 2oby | NAP | Quinone oxidoreductase PIG3 | 1 | 0.451 | |
| 4rvu | NDP | Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) | / | 0.451 | |
| 1kbj | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.450 | |
| 2wat | COA | Fatty acid synthase subunit alpha | 2.3.1.86 | 0.450 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.450 | |
| 1mja | COA | Histone acetyltransferase ESA1 | / | 0.449 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.449 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.449 | |
| 2acq | NAP | Aldose reductase | 1.1.1.21 | 0.448 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.447 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.447 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.446 | |
| 1l2t | ATP | Uncharacterized ABC transporter ATP-binding protein MJ0796 | / | 0.445 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.445 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1zdw | FLV | Prenyltransferase | / | 0.443 | |
| 2hej | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.443 | |
| 3k4c | FAD | Pyranose 2-oxidase | / | 0.443 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.442 | |
| 4ozt | P1A | Ecdysone receptor, putative | / | 0.442 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3lsm | SFD | Pyranose 2-oxidase | / | 0.441 | |
| 4l4x | NDP | AmphI | / | 0.441 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.440 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.440 |