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 |
|---|---|---|---|
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 1.000 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.620 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.610 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.608 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.597 | |
| 1u0z | RDC | Endoplasmin | / | 0.596 | |
| 1ysz | NEC | Endoplasmin | / | 0.586 | |
| 1qy8 | RDI | Endoplasmin | / | 0.584 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.577 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.569 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.569 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.567 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.567 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.566 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.560 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.559 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.550 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.546 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 1u2o | NEC | Endoplasmin | / | 0.544 | |
| 2hch | N5A | Endoplasmin | / | 0.544 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.544 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.542 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.539 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 1u0y | PA7 | Endoplasmin | / | 0.536 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 2fyp | RDE | Endoplasmin | / | 0.534 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.533 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.528 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.526 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.521 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.517 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2gqp | PA7 | Endoplasmin | / | 0.516 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.514 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.513 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 2hg1 | N5O | Endoplasmin | / | 0.511 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.511 | |
| 2gfd | RDA | Endoplasmin | / | 0.507 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 1qy5 | NEC | Endoplasmin | / | 0.499 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.496 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.491 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.491 | |
| 2exl | GDM | Endoplasmin | / | 0.489 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.486 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.485 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.484 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.482 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.482 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.482 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 3ied | AN2 | HSP90 | / | 0.476 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.476 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.474 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 1yt0 | ADP | Endoplasmin | / | 0.471 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 2o1u | ANP | Endoplasmin | / | 0.470 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2o1v | ADP | Endoplasmin | / | 0.467 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2ior | ADP | Chaperone protein HtpG | / | 0.464 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.463 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2esa | GDM | Endoplasmin | / | 0.461 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.456 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2yec | XQ0 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.452 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 2wi1 | ZZ2 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 2yi6 | 6QM | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.447 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.445 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4c0b | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.445 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.443 | |
| 2ye4 | 2FY | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 3ieu | GDP | GTPase Era | / | 0.442 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.442 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.440 | |
| 4yqf | GDP | Septin-9 | / | 0.440 |