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 |
|---|---|---|---|
| 3r4n | FU5 | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.626 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.617 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.600 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.598 | |
| 1u0z | RDC | Endoplasmin | / | 0.590 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.584 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.580 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.580 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.577 | |
| 1ysz | NEC | Endoplasmin | / | 0.569 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.558 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 1u2o | NEC | Endoplasmin | / | 0.548 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.541 | |
| 1u0y | PA7 | Endoplasmin | / | 0.534 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.534 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 2gfd | RDA | Endoplasmin | / | 0.526 | |
| 1qy8 | RDI | Endoplasmin | / | 0.525 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.524 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 2gqp | PA7 | Endoplasmin | / | 0.520 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.520 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.519 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.519 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.514 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 1qy5 | NEC | Endoplasmin | / | 0.513 | |
| 2fyp | RDE | Endoplasmin | / | 0.513 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.512 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.501 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.500 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.498 | |
| 2exl | GDM | Endoplasmin | / | 0.497 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.495 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2hch | N5A | Endoplasmin | / | 0.494 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.493 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.488 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.487 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.486 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.484 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 2hg1 | N5O | Endoplasmin | / | 0.480 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.480 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.478 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.473 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.467 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.461 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.457 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.455 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2p9c | NAI | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.453 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.451 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.451 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.451 | |
| 4a28 | ADP | Kinesin-like protein KIF11 | / | 0.450 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.449 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.448 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.447 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.447 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.447 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 3bvb | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.446 | |
| 4bcr | WY1 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 2jds | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.443 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.443 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.442 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.442 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.440 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.440 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.440 |