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 |
|---|---|---|---|
| 3ied | AN2 | HSP90 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ied | AN2 | HSP90 | / | 1.000 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.548 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.542 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.527 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 2exl | GDM | Endoplasmin | / | 0.514 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.511 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 1u0z | RDC | Endoplasmin | / | 0.498 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.495 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.493 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.493 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.488 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 1qy5 | NEC | Endoplasmin | / | 0.486 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.485 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.483 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.483 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.480 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.480 | |
| 2fyp | RDE | Endoplasmin | / | 0.480 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.479 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.478 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.476 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.475 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 1qy8 | RDI | Endoplasmin | / | 0.474 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.474 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.472 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.471 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.471 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.465 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.464 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.463 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 1u0y | PA7 | Endoplasmin | / | 0.462 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.458 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.457 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.454 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.454 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.454 | |
| 1i5b | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.453 | |
| 3d4p | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.453 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.452 | |
| 1u2o | NEC | Endoplasmin | / | 0.452 | |
| 1yt0 | ADP | Endoplasmin | / | 0.452 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.450 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2yi6 | 6QM | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.449 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.448 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.448 | |
| 1ysz | NEC | Endoplasmin | / | 0.447 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.447 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.445 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4lht | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.445 | |
| 2o1u | ANP | Endoplasmin | / | 0.444 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.442 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.442 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.441 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2zdx | P4A | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.441 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.441 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.441 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1ra8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2gfd | RDA | Endoplasmin | / | 0.440 |