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 |
|---|---|---|---|
| 3hek | BD0 | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.551 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 1qy8 | RDI | Endoplasmin | / | 0.518 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 1qy5 | NEC | Endoplasmin | / | 0.512 | |
| 2gqp | PA7 | Endoplasmin | / | 0.506 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.502 | |
| 1ysz | NEC | Endoplasmin | / | 0.492 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.489 | |
| 2gfd | RDA | Endoplasmin | / | 0.488 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.488 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 1u0z | RDC | Endoplasmin | / | 0.478 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.478 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.474 | |
| 1u2o | NEC | Endoplasmin | / | 0.473 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.472 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2fyp | RDE | Endoplasmin | / | 0.472 | |
| 1u0y | PA7 | Endoplasmin | / | 0.466 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.465 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.463 | |
| 2hch | N5A | Endoplasmin | / | 0.461 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.460 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.460 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.460 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.458 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.456 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.456 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.455 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.453 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.451 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.451 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.450 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.449 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.447 | |
| 2hg1 | N5O | Endoplasmin | / | 0.445 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.445 | |
| 5dhh | DGW | Nociceptin receptor | / | 0.445 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.444 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.443 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.442 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.442 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4e4q | RRH | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.440 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3efw | AK8 | Aurora kinase A | 2.7.11.1 | 0.440 | |
| 3nut | SAH | Precorrin-3 methylase | / | 0.440 | |
| 3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.440 |