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 |
|---|---|---|---|
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.620 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.592 | |
| 4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.589 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.587 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.583 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.581 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.578 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.572 | |
| 4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.571 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.570 | |
| 4jpe | 1M7 | Beta-secretase 1 | 3.4.23.46 | 0.568 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.567 | |
| 4h3g | 10Q | Beta-secretase 1 | 3.4.23.46 | 0.563 | |
| 4azy | 7F3 | Beta-secretase 1 | 3.4.23.46 | 0.550 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.549 | |
| 4b00 | I6X | Beta-secretase 1 | 3.4.23.46 | 0.548 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.546 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.546 | |
| 4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.539 | |
| 4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
| 4lc7 | 1WP | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.530 | |
| 4b05 | 32D | Beta-secretase 1 | 3.4.23.46 | 0.523 | |
| 4fs4 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.513 | |
| 4l7g | 1W0 | Beta-secretase 1 | 3.4.23.46 | 0.505 | |
| 4j0z | 1H5 | Beta-secretase 1 | 3.4.23.46 | 0.504 | |
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 0.502 | |
| 4bek | XK0 | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 3vv8 | B02 | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
| 4ha5 | 13W | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 4djw | 0KP | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
| 2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 3l5d | BDV | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.480 | |
| 4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.479 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.474 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3kmy | D8Y | Beta-secretase 1 | 3.4.23.46 | 0.467 | |
| 4jpc | 1M6 | Beta-secretase 1 | 3.4.23.46 | 0.465 | |
| 3udk | 095 | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
| 4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
| 3zov | WZV | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 3zmg | 6Z0 | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 3zkn | WZV | Beta-secretase 2 | 3.4.23.45 | 0.457 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.456 | |
| 3zlq | 6T9 | Beta-secretase 2 | 3.4.23.45 | 0.452 | |
| 4j0y | 1H6 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4joo | 1M4 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 3vg1 | 0GT | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 3l5b | BDO | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4lxk | 1YT | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 3rtm | RTM | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4djv | 0KM | Beta-secretase 1 | 3.4.23.46 | 0.440 |