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 |
|---|---|---|---|
| 3ugr | IMN | Aldo-keto reductase family 1 member C3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ugr | IMN | Aldo-keto reductase family 1 member C3 | / | 1.000 | |
| 3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.650 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.614 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.608 | |
| 3r8h | ZOM | Aldo-keto reductase family 1 member C3 | / | 0.607 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.599 | |
| 4hmn | 16J | Aldo-keto reductase family 1 member C3 | / | 0.568 | |
| 3r8g | IZP | Aldo-keto reductase family 1 member C3 | / | 0.560 | |
| 4fa3 | 0SL | Aldo-keto reductase family 1 member C3 | / | 0.557 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.547 | |
| 1s2c | FLF | Aldo-keto reductase family 1 member C3 | / | 0.546 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.541 | |
| 3r94 | FLR | Aldo-keto reductase family 1 member C3 | / | 0.540 | |
| 4h7c | 10H | Aldo-keto reductase family 1 member C3 | / | 0.540 | |
| 4fal | 0T0 | Aldo-keto reductase family 1 member C3 | / | 0.533 | |
| 3r6i | JMS | Aldo-keto reductase family 1 member C3 | / | 0.530 | |
| 3uwe | VJJ | Aldo-keto reductase family 1 member C3 | / | 0.530 | |
| 4dz5 | NAP | Aldo-keto reductase family 1 member C3 | / | 0.520 | |
| 3r7m | SUZ | Aldo-keto reductase family 1 member C3 | / | 0.518 | |
| 3r43 | ID8 | Aldo-keto reductase family 1 member C3 | / | 0.506 | |
| 3ufy | NPX | Aldo-keto reductase family 1 member C3 | / | 0.505 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.502 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.499 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.490 | |
| 3r58 | NPS | Aldo-keto reductase family 1 member C3 | / | 0.487 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.483 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.457 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.457 | |
| 3ele | PLP | Aminotransferase | / | 0.448 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.443 | |
| 1ej3 | CZH | Aequorin-2 | / | 0.442 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.442 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 4gqe | 6KJ | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 |