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 |
|---|---|---|---|
| 3i9j | NFD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3i9j | NFD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 1.000 | |
| 3zwo | G2Q | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.580 | |
| 3zwx | AV1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.539 | |
| 3i9k | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.534 | |
| 2hct | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.484 | |
| 3cui | X4S | Exoglucanase/xylanase | 3.2.1.91 | 0.476 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 2vrj | NCW | Beta-glucosidase A | 3.2.1.21 | 0.462 | |
| 3dzj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.458 | |
| 3iu9 | T07 | Methionine aminopeptidase 2 | / | 0.456 | |
| 2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.453 | |
| 3ghh | 2NF | CD38 molecule | / | 0.453 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3dzi | RGT | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.451 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2b8j | ADN | Class B acid phosphatase | 3.1.3.2 | 0.448 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.446 | |
| 2eju | SAH | tRNA (guanine(26)-N(2))-dimethyltransferase | / | 0.446 | |
| 2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.446 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1isj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 | 0.444 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.444 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 2bd0 | BIO | Sepiapterin reductase | / | 0.443 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.442 | |
| 3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 3zj6 | VM2 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.441 |