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 |
|---|---|---|---|
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 1.000 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.644 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.547 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.542 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.541 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.541 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.540 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.540 | |
| 3vyd | VYD | Renin | 3.4.23.15 | 0.535 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.534 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.530 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.528 | |
| 2qzl | IXS | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.526 | |
| 4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.526 | |
| 1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.525 | |
| 1zap | A70 | Candidapepsin-2 | 3.4.23.24 | 0.524 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.524 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.524 | |
| 2g20 | L1A | Renin | 3.4.23.15 | 0.522 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.521 | |
| 2vkm | BSD | Beta-secretase 1 | 3.4.23.46 | 0.520 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.519 | |
| 4gid | 0GH | Beta-secretase 1 | 3.4.23.46 | 0.518 | |
| 2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.516 | |
| 2ph6 | 712 | Beta-secretase 1 | 3.4.23.46 | 0.516 | |
| 3own | 3OW | Renin | 3.4.23.15 | 0.516 | |
| 3veu | 0GO | Beta-secretase 1 | 3.4.23.46 | 0.513 | |
| 2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.512 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.511 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.511 | |
| 2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 3ixj | 586 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 4fco | 0U4 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.510 | |
| 3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.510 | |
| 3vyf | VYF | Renin | 3.4.23.15 | 0.510 | |
| 2g21 | L1B | Renin | 3.4.23.15 | 0.509 | |
| 4i0h | 1BL | Beta-secretase 1 | 3.4.23.46 | 0.509 | |
| 1gvt | 2ZS | Endothiapepsin | 3.4.23.22 | 0.508 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.508 | |
| 2g22 | 6IG | Renin | 3.4.23.15 | 0.508 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.508 | |
| 3pbz | F02 | Endothiapepsin | 3.4.23.22 | 0.508 | |
| 3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.507 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.506 | |
| 4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.506 | |
| 4y4j | LNR | Endothiapepsin | 3.4.23.22 | 0.506 | |
| 3t7x | 4SH | Endothiapepsin | 3.4.23.22 | 0.503 | |
| 3vuc | HHE | Renin | 3.4.23.15 | 0.503 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.502 | |
| 2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.502 | |
| 2wf4 | ZY4 | Beta-secretase 1 | 3.4.23.46 | 0.501 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.501 | |
| 1od1 | 0QS | Endothiapepsin | 3.4.23.22 | 0.499 | |
| 1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 2g1y | 5IG | Renin | 3.4.23.15 | 0.499 | |
| 2iqg | F2I | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.499 | |
| 2b8l | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 2f3e | AXQ | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 4dpi | 0N1 | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
| 3pi5 | 3P5 | Beta-secretase 1 | 3.4.23.46 | 0.497 | |
| 2is0 | I03 | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
| 2p4j | 23I | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 3qbh | QBH | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
| 2viy | VG3 | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
| 3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
| 3oqf | S51 | Renin | 3.4.23.15 | 0.494 | |
| 2oah | QIN | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 2wf3 | ZY3 | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
| 3vsw | R31 | Renin | 3.4.23.15 | 0.493 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.492 | |
| 4lxk | 1YT | Beta-secretase 1 | 3.4.23.46 | 0.492 | |
| 4y3z | F41 | Endothiapepsin | 3.4.23.22 | 0.492 | |
| 3dv5 | BAV | Beta-secretase 1 | 3.4.23.46 | 0.491 | |
| 3prs | RIT | Endothiapepsin | 3.4.23.22 | 0.491 | |
| 1e81 | M91 | Endothiapepsin | 3.4.23.22 | 0.490 | |
| 2jjj | 0QS | Endothiapepsin | 3.4.23.22 | 0.489 | |
| 3k5f | AYH | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 3ohf | 3HF | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 4d89 | BXD | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.489 | |
| 2wf2 | ZY2 | Beta-secretase 1 | 3.4.23.46 | 0.488 | |
| 2ntr | L00 | Beta-secretase 1 | 3.4.23.46 | 0.487 | |
| 3vsx | R32 | Renin | 3.4.23.15 | 0.487 | |
| 3pi0 | F91 | Endothiapepsin | 3.4.23.22 | 0.486 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.486 | |
| 2irz | I02 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
| 2f3f | AXF | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 3k5d | XLI | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
| 3own | 3OX | Renin | 3.4.23.15 | 0.484 | |
| 3pll | F06 | Endothiapepsin | 3.4.23.22 | 0.484 | |
| 1gvv | 0GM | Endothiapepsin | 3.4.23.22 | 0.483 | |
| 3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.483 | |
| 3vye | VYE | Renin | 3.4.23.15 | 0.483 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.482 | |
| 2wf1 | ZY1 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 3dv1 | AR9 | Beta-secretase 1 | 3.4.23.46 | 0.482 | |
| 3slz | 3TL | Putative gag-pro-pol polyprotein | / | 0.481 | |
| 1eag | A70 | Candidapepsin-2 | 3.4.23.24 | 0.479 | |
| 1gvw | 0EM | Endothiapepsin | 3.4.23.22 | 0.479 | |
| 2wez | ZYE | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 3pld | F90 | Endothiapepsin | 3.4.23.22 | 0.478 | |
| 3skg | PB8 | Beta-secretase 1 | 3.4.23.46 | 0.478 | |
| 1ppm | 0P1 | Penicillopepsin-1 | 3.4.23.20 | 0.477 | |
| 2fdp | FRP | Beta-secretase 1 | 3.4.23.46 | 0.477 | |
| 4y3q | F02 | Endothiapepsin | 3.4.23.22 | 0.477 | |
| 2wf0 | ZY0 | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 3ixk | 929 | Beta-secretase 1 | 3.4.23.46 | 0.474 | |
| 1e82 | M90 | Endothiapepsin | 3.4.23.22 | 0.472 | |
| 2vnn | CM7 | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 4k8s | 1QT | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 4y45 | F91 | Endothiapepsin | 3.4.23.22 | 0.472 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.471 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.471 | |
| 4zea | IMI | Endothiapepsin | 3.4.23.22 | 0.471 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 3q70 | RIT | Candidapepsin-2 | 3.4.23.24 | 0.468 | |
| 3k5g | BJC | Beta-secretase 1 | 3.4.23.46 | 0.467 | |
| 3oag | LPQ | Renin | 3.4.23.15 | 0.467 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
| 4fsl | 0VB | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
| 2g94 | ZPQ | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 3pgi | F41 | Endothiapepsin | 3.4.23.22 | 0.462 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 3t7p | 7SP | Endothiapepsin | 3.4.23.22 | 0.459 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 4y57 | F63 | Endothiapepsin | 3.4.23.22 | 0.458 | |
| 1ppk | IVV | Penicillopepsin-1 | 3.4.23.20 | 0.457 | |
| 2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.457 | |
| 3vg1 | 0GT | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
| 3bgc | LJH | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
| 3g70 | A5T | Renin | 3.4.23.15 | 0.455 | |
| 3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 3g72 | A6T | Renin | 3.4.23.15 | 0.453 | |
| 4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.449 | |
| 1msm | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 2jji | 0QS | Endothiapepsin | 3.4.23.22 | 0.449 | |
| 2wed | PP6 | Penicillopepsin-1 | 3.4.23.20 | 0.449 | |
| 3vf3 | 0GS | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 3el9 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 3lit | E15 | Protease | / | 0.447 | |
| 3oad | LPO | Renin | 3.4.23.15 | 0.447 | |
| 4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 2ph8 | 35A | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 1vik | BAY | Gag-Pol polyprotein | / | 0.443 | |
| 3psy | RB9 | Endothiapepsin | 3.4.23.22 | 0.443 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.443 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.442 | |
| 3tpr | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.441 | |
| 2fxe | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4em4 | FAD | Coenzyme A disulfide reductase | / | 0.440 |