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 |
|---|---|---|---|
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.604 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.574 | |
| 4azy | 7F3 | Beta-secretase 1 | 3.4.23.46 | 0.564 | |
| 4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.547 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
| 4jpe | 1M7 | Beta-secretase 1 | 3.4.23.46 | 0.525 | |
| 4b00 | I6X | Beta-secretase 1 | 3.4.23.46 | 0.519 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.517 | |
| 4lc7 | 1WP | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 4b05 | 32D | Beta-secretase 1 | 3.4.23.46 | 0.507 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.505 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.502 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.500 | |
| 4jpc | 1M6 | Beta-secretase 1 | 3.4.23.46 | 0.500 | |
| 4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.497 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 4h3g | 10Q | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 4djw | 0KP | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.490 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.483 | |
| 3zmg | 6Z0 | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 4joo | 1M4 | Beta-secretase 1 | 3.4.23.46 | 0.477 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.474 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.473 | |
| 3udk | 095 | Beta-secretase 1 | 3.4.23.46 | 0.469 | |
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 0.469 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3tpr | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3dv5 | BAV | Beta-secretase 1 | 3.4.23.46 | 0.466 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
| 4j0t | 6T9 | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 2ohl | 2AQ | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
| 3vv8 | B02 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 4l7h | 1W1 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 3l5d | BDV | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 4j17 | 1HQ | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 4fs4 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4i0h | 1BL | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 3kmy | D8Y | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4j0y | 1H6 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 4j1c | 1HO | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3zki | WZV | Beta-secretase 2 | 3.4.23.45 | 0.441 | |
| 3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.440 |