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 |
|---|---|---|---|
| 3qi1 | C6A | Beta-secretase 1 | 3.4.23.46 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qi1 | C6A | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
| 4i0j | 842 | Beta-secretase 1 | 3.4.23.46 | 0.601 | |
| 4ke1 | 1R6 | Beta-secretase 1 | 3.4.23.46 | 0.591 | |
| 3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.583 | |
| 3n4l | 842 | Beta-secretase 1 | 3.4.23.46 | 0.574 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.571 | |
| 4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.569 | |
| 3k5f | AYH | Beta-secretase 1 | 3.4.23.46 | 0.568 | |
| 4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.564 | |
| 4i0h | 1BL | Beta-secretase 1 | 3.4.23.46 | 0.564 | |
| 3k5d | XLI | Beta-secretase 1 | 3.4.23.46 | 0.563 | |
| 2f3e | AXQ | Beta-secretase 1 | 3.4.23.46 | 0.560 | |
| 4lxk | 1YT | Beta-secretase 1 | 3.4.23.46 | 0.560 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.559 | |
| 2fdp | FRP | Beta-secretase 1 | 3.4.23.46 | 0.557 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.557 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.555 | |
| 3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.554 | |
| 1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
| 4d89 | BXD | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
| 2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.551 | |
| 3k5g | BJC | Beta-secretase 1 | 3.4.23.46 | 0.549 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.546 | |
| 4k8s | 1QT | Beta-secretase 1 | 3.4.23.46 | 0.545 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.544 | |
| 2f3f | AXF | Beta-secretase 1 | 3.4.23.46 | 0.543 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.543 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.543 | |
| 3pi5 | 3P5 | Beta-secretase 1 | 3.4.23.46 | 0.543 | |
| 2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.542 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.541 | |
| 2g94 | ZPQ | Beta-secretase 1 | 3.4.23.46 | 0.540 | |
| 3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.539 | |
| 3ixj | 586 | Beta-secretase 1 | 3.4.23.46 | 0.539 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.539 | |
| 2iqg | F2I | Beta-secretase 1 | 3.4.23.46 | 0.538 | |
| 3dv1 | AR9 | Beta-secretase 1 | 3.4.23.46 | 0.538 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.538 | |
| 4ke0 | 1R8 | Beta-secretase 1 | 3.4.23.46 | 0.536 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
| 2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.531 | |
| 3ohf | 3HF | Beta-secretase 1 | 3.4.23.46 | 0.531 | |
| 4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.528 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
| 3fkt | SII | Beta-secretase 1 | 3.4.23.46 | 0.526 | |
| 3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.525 | |
| 2ph8 | 35A | Beta-secretase 1 | 3.4.23.46 | 0.524 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.524 | |
| 3ixk | 929 | Beta-secretase 1 | 3.4.23.46 | 0.523 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.522 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.521 | |
| 4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.521 | |
| 2vkm | BSD | Beta-secretase 1 | 3.4.23.46 | 0.518 | |
| 2wf1 | ZY1 | Beta-secretase 1 | 3.4.23.46 | 0.516 | |
| 4l7g | 1W0 | Beta-secretase 1 | 3.4.23.46 | 0.516 | |
| 4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.514 | |
| 3qbh | QBH | Beta-secretase 1 | 3.4.23.46 | 0.514 | |
| 3veu | 0GO | Beta-secretase 1 | 3.4.23.46 | 0.514 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.512 | |
| 4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 2vie | VG0 | Beta-secretase 1 | 3.4.23.46 | 0.509 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.507 | |
| 2ntr | L00 | Beta-secretase 1 | 3.4.23.46 | 0.503 | |
| 2qzl | IXS | Beta-secretase 1 | 3.4.23.46 | 0.503 | |
| 4fs4 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.503 | |
| 4gid | 0GH | Beta-secretase 1 | 3.4.23.46 | 0.503 | |
| 2ph6 | 712 | Beta-secretase 1 | 3.4.23.46 | 0.501 | |
| 4lc7 | 1WP | Beta-secretase 1 | 3.4.23.46 | 0.501 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.500 | |
| 2wf3 | ZY3 | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 4b00 | I6X | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.497 | |
| 3vf3 | 0GS | Beta-secretase 1 | 3.4.23.46 | 0.497 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.492 | |
| 4lxm | 1YU | Beta-secretase 1 | 3.4.23.46 | 0.491 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.490 | |
| 3udq | 09E | Beta-secretase 1 | 3.4.23.46 | 0.490 | |
| 2b8l | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.488 | |
| 4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.488 | |
| 4fm8 | 0UQ | Beta-secretase 1 | 3.4.23.46 | 0.488 | |
| 2wf2 | ZY2 | Beta-secretase 1 | 3.4.23.46 | 0.487 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.487 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.486 | |
| 3vg1 | 0GT | Beta-secretase 1 | 3.4.23.46 | 0.486 | |
| 4h3g | 10Q | Beta-secretase 1 | 3.4.23.46 | 0.486 | |
| 2xfi | XFI | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 4frs | 0V6 | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 2is0 | I03 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 2vnm | CM8 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 2wf4 | ZY4 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 4fco | 0U4 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 3i25 | MV7 | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
| 2viy | VG3 | Beta-secretase 1 | 3.4.23.46 | 0.480 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.479 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.479 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.479 | |
| 2irz | I02 | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 3dv5 | BAV | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 2wf0 | ZY0 | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 2xfj | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
| 2viz | VG4 | Beta-secretase 1 | 3.4.23.46 | 0.474 | |
| 3own | 3OX | Renin | 3.4.23.15 | 0.473 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.470 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.469 | |
| 2v13 | C40 | Renin | 3.4.23.15 | 0.468 | |
| 4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.467 | |
| 2b8v | 3BN | Beta-secretase 1 | 3.4.23.46 | 0.465 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.465 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.465 | |
| 2p8h | MY9 | Beta-secretase 1 | 3.4.23.46 | 0.465 | |
| 3vyd | VYD | Renin | 3.4.23.15 | 0.465 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.464 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.464 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.464 | |
| 2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
| 3vuc | HHE | Renin | 3.4.23.15 | 0.463 | |
| 3own | 3OW | Renin | 3.4.23.15 | 0.462 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.462 | |
| 4ha5 | 13W | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
| 2vj7 | VG6 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.457 | |
| 3zlq | 6T9 | Beta-secretase 2 | 3.4.23.45 | 0.457 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.456 | |
| 2vnn | CM7 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 3tpr | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 4dpi | 0N1 | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 2g20 | L1A | Renin | 3.4.23.15 | 0.453 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 2g1y | 5IG | Renin | 3.4.23.15 | 0.451 | |
| 2g22 | 6IG | Renin | 3.4.23.15 | 0.450 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 3t6i | NC9 | Endothiapepsin | 3.4.23.22 | 0.450 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.449 | |
| 4dan | 2FA | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.449 | |
| 2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 2xfk | AA9 | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 2g21 | L1B | Renin | 3.4.23.15 | 0.447 | |
| 2vj9 | VG7 | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.446 | |
| 3vsw | R31 | Renin | 3.4.23.15 | 0.446 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.445 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.444 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.443 | |
| 3kmx | G00 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 1gvt | 2ZS | Endothiapepsin | 3.4.23.22 | 0.440 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.440 |