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 |
|---|---|---|---|
| 1rdt | L79 | Retinoic acid receptor RXR-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1rdt | L79 | Retinoic acid receptor RXR-alpha | / | 1.000 | |
| 1mzn | BM6 | Retinoic acid receptor RXR-alpha | / | 0.596 | |
| 2p1t | 3TN | Retinoic acid receptor RXR-alpha | / | 0.580 | |
| 4m8h | R4M | Retinoic acid receptor RXR-alpha | / | 0.570 | |
| 2p1v | 5TN | Retinoic acid receptor RXR-alpha | / | 0.554 | |
| 1k74 | 9CR | Retinoic acid receptor RXR-alpha | / | 0.552 | |
| 1xiu | REA | Retinoic acid receptor RXR | / | 0.548 | |
| 2p1u | 4TN | Retinoic acid receptor RXR-alpha | / | 0.538 | |
| 1fm9 | 9CR | Retinoic acid receptor RXR-alpha | / | 0.537 | |
| 1xls | REA | Retinoic acid receptor RXR-alpha | / | 0.535 | |
| 1fby | REA | Retinoic acid receptor RXR-alpha | / | 0.534 | |
| 1fm6 | 9CR | Retinoic acid receptor RXR-alpha | / | 0.533 | |
| 3fal | REA | Retinoic acid receptor RXR-alpha | / | 0.533 | |
| 1mvc | BM6 | Retinoic acid receptor RXR-alpha | / | 0.518 | |
| 1uhl | MEI | Retinoic acid receptor RXR-beta | / | 0.517 | |
| 4k4j | 1O8 | Retinoic acid receptor RXR-alpha | / | 0.517 | |
| 3fc6 | REA | Retinoic acid receptor RXR-alpha | / | 0.510 | |
| 3oap | REA | Retinoic acid receptor RXR-alpha | / | 0.509 | |
| 2acl | REA | Retinoic acid receptor RXR-alpha | / | 0.505 | |
| 3uvv | REA | Retinoic acid receptor RXR-alpha | / | 0.505 | |
| 4m8e | 29V | Retinoic acid receptor RXR-alpha | / | 0.500 | |
| 4k6i | 9RA | Retinoic acid receptor RXR-alpha | / | 0.499 | |
| 4xbf | FAD | Lysine-specific histone demethylase 1A | 1 | 0.474 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.469 | |
| 2fzw | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.461 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.461 | |
| 2dw4 | FAD | Lysine-specific histone demethylase 1A | 1 | 0.460 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.455 | |
| 2e9d | B76 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.454 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.453 | |
| 2iod | MYC | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.452 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 2ol4 | JPN | Enoyl-ACP reductase | / | 0.448 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.448 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.446 | |
| 1osv | CHC | Bile acid receptor | / | 0.444 | |
| 3qlh | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.443 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.443 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.443 | |
| 3rey | XAC | Adenosine receptor A2a | / | 0.443 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.441 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.441 | |
| 1ot7 | IU5 | Bile acid receptor | / | 0.440 |