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 |
|---|---|---|---|
| 2ohl | 2AQ | Beta-secretase 1 | 3.4.23.46 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ohl | 2AQ | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
| 2of0 | CMZ | Beta-secretase 1 | 3.4.23.46 | 0.597 | |
| 4jpe | 1M7 | Beta-secretase 1 | 3.4.23.46 | 0.591 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.587 | |
| 3tpr | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.585 | |
| 4azy | 7F3 | Beta-secretase 1 | 3.4.23.46 | 0.583 | |
| 4joo | 1M4 | Beta-secretase 1 | 3.4.23.46 | 0.579 | |
| 4jpc | 1M6 | Beta-secretase 1 | 3.4.23.46 | 0.578 | |
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 0.571 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.553 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.553 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.550 | |
| 3vv8 | B02 | Beta-secretase 1 | 3.4.23.46 | 0.549 | |
| 4lc7 | 1WP | Beta-secretase 1 | 3.4.23.46 | 0.547 | |
| 4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.540 | |
| 4h3g | 10Q | Beta-secretase 1 | 3.4.23.46 | 0.537 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.537 | |
| 4b00 | I6X | Beta-secretase 1 | 3.4.23.46 | 0.533 | |
| 4b05 | 32D | Beta-secretase 1 | 3.4.23.46 | 0.533 | |
| 3zlq | 6T9 | Beta-secretase 2 | 3.4.23.45 | 0.531 | |
| 4djw | 0KP | Beta-secretase 1 | 3.4.23.46 | 0.531 | |
| 4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.530 | |
| 4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.528 | |
| 3zmg | 6Z0 | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
| 4fri | DWA | Beta-secretase 1 | 3.4.23.46 | 0.522 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.521 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.521 | |
| 3rtm | RTM | Beta-secretase 1 | 3.4.23.46 | 0.520 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.519 | |
| 2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.518 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.514 | |
| 3l5b | BDO | Beta-secretase 1 | 3.4.23.46 | 0.513 | |
| 3l5d | BDV | Beta-secretase 1 | 3.4.23.46 | 0.513 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.513 | |
| 4j0y | 1H6 | Beta-secretase 1 | 3.4.23.46 | 0.512 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.510 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.509 | |
| 4l7h | 1W1 | Beta-secretase 1 | 3.4.23.46 | 0.506 | |
| 4j1c | 1HO | Beta-secretase 1 | 3.4.23.46 | 0.501 | |
| 4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 3l5e | BDW | Beta-secretase 1 | 3.4.23.46 | 0.492 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.485 | |
| 4j0z | 1H5 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
| 4j17 | 1HQ | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 3s2o | EV6 | Beta-secretase 1 | 3.4.23.46 | 0.480 | |
| 4djv | 0KM | Beta-secretase 1 | 3.4.23.46 | 0.480 | |
| 4j1e | 1HM | Beta-secretase 1 | 3.4.23.46 | 0.479 | |
| 2va6 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 4j0p | 1H8 | Beta-secretase 1 | 3.4.23.46 | 0.477 | |
| 2ohu | IP7 | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 3kmy | D8Y | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 4bek | XK0 | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 3zov | WZV | Beta-secretase 1 | 3.4.23.46 | 0.469 | |
| 2va7 | C27 | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3wb4 | 0B3 | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 4ha5 | 13W | Beta-secretase 1 | 3.4.23.46 | 0.466 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.466 | |
| 3udk | 095 | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 4j0t | 6T9 | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 3zkn | WZV | Beta-secretase 2 | 3.4.23.45 | 0.459 | |
| 4l7g | 1W0 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 2wjo | QUD | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 4bfd | 8T3 | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
| 4fs4 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 4i10 | 1BS | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 3zki | WZV | Beta-secretase 2 | 3.4.23.45 | 0.453 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 2ohm | 8AP | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.441 |