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 |
|---|---|---|---|
| 4prx | ADP | DNA gyrase subunit B |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4prx | ADP | DNA gyrase subunit B | / | 1.000 | |
| 4wuc | ANP | DNA gyrase subunit B | / | 0.658 | |
| 4prv | ADP | DNA gyrase subunit B | / | 0.632 | |
| 4wud | ANP | DNA gyrase subunit B | / | 0.630 | |
| 1ei1 | ANP | DNA gyrase subunit B | / | 0.487 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.483 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.481 | |
| 3zkb | ANP | DNA gyrase subunit B | / | 0.481 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.471 | |
| 1eio | GCH | Gastrotropin | / | 0.462 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.462 | |
| 2vd0 | D27 | Hematopoietic prostaglandin D synthase | / | 0.460 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.460 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.459 | |
| 1xkd | NAP | Isocitrate dehydrogenase [NADP] | / | 0.456 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.455 | |
| 3f3s | NAD | Lambda-crystallin homolog | / | 0.455 | |
| 2z4s | ADP | Chromosomal replication initiator protein DnaA | / | 0.453 | |
| 5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.453 | |
| 3u33 | FAD | Putative acyl-CoA dehydrogenase AidB | 1.3.99 | 0.452 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.451 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.450 | |
| 1zxm | ANP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.449 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.448 | |
| 1i24 | UPG | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.447 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.447 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.446 | |
| 2vwq | NAP | Glucose 1-dehydrogenase | / | 0.446 | |
| 3pef | NAP | Glyoxalate/3-oxopropanoate/4-oxobutanoate reductase | / | 0.446 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.445 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.445 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.444 | |
| 3zkd | ANP | DNA gyrase subunit B | / | 0.444 | |
| 4ejn | 0R4 | RAC-alpha serine/threonine-protein kinase | 2.7.11.1 | 0.444 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.442 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.442 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.442 | |
| 3wfj | NAD | 2-dehydropantoate 2-reductase | / | 0.442 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.441 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.441 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.440 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.440 |