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 |
|---|---|---|---|
| 2qfo | A13 | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.838 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.573 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.538 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.501 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 1u0y | PA7 | Endoplasmin | / | 0.484 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 1qy8 | RDI | Endoplasmin | / | 0.479 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3ied | AN2 | HSP90 | / | 0.475 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.470 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.469 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 1qy5 | NEC | Endoplasmin | / | 0.467 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 1u0z | RDC | Endoplasmin | / | 0.466 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2exl | GDM | Endoplasmin | / | 0.463 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.461 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 1ysz | NEC | Endoplasmin | / | 0.457 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.456 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.454 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.453 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2hg1 | N5O | Endoplasmin | / | 0.452 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 1u2o | NEC | Endoplasmin | / | 0.451 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.449 | |
| 4rcv | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.449 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.446 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.446 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.446 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 2fyp | RDE | Endoplasmin | / | 0.444 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.443 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.440 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.440 |