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 |
|---|---|---|---|
| 3ekr | PY9 | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.730 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.624 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.619 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.609 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.609 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.577 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.573 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.557 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.556 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 2fyp | RDE | Endoplasmin | / | 0.550 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 1u0z | RDC | Endoplasmin | / | 0.540 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.533 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.531 | |
| 1qy8 | RDI | Endoplasmin | / | 0.529 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 1ysz | NEC | Endoplasmin | / | 0.521 | |
| 2hch | N5A | Endoplasmin | / | 0.521 | |
| 1u2o | NEC | Endoplasmin | / | 0.518 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.515 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.513 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 1qy5 | NEC | Endoplasmin | / | 0.508 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.508 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.506 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2gfd | RDA | Endoplasmin | / | 0.504 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.504 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.502 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2hg1 | N5O | Endoplasmin | / | 0.499 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 2gqp | PA7 | Endoplasmin | / | 0.497 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.497 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.494 | |
| 1u0y | PA7 | Endoplasmin | / | 0.493 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2exl | GDM | Endoplasmin | / | 0.491 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.490 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.483 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.483 | |
| 3ied | AN2 | HSP90 | / | 0.482 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.482 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.482 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.475 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 3rlp | 3RP | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.463 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.457 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.451 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.450 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.443 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.443 | |
| 2wi1 | ZZ2 | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.441 |