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 |
|---|---|---|---|
| 2np6 | NEA | Modification methylase TaqI | 2.1.1.72 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2np6 | NEA | Modification methylase TaqI | 2.1.1.72 | 1.000 | |
| 2ih5 | NEA | Modification methylase TaqI | 2.1.1.72 | 0.518 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.463 | |
| 1heu | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.461 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.452 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.451 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 5cdt | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.450 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.449 | |
| 5kj1 | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 5kje | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.448 | |
| 4qxp | 1YE | Stimulator of interferon genes protein | / | 0.447 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.445 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.445 | |
| 5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.444 | |
| 3oq6 | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
| 4eua | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.444 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.443 | |
| 4g2r | H1L | Probable propionyl-CoA carboxylase beta chain 6 | 6.4.1.3 | 0.443 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.442 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 5kj1 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 1f0x | FAD | D-lactate dehydrogenase | 1.1.1.28 | 0.441 | |
| 1het | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 4h4y | NAP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.441 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2x8h | FAD | Thioredoxin glutathione reductase | / | 0.440 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.440 |