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 |
|---|---|---|---|
| 4jql | VJ6 | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.663 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.633 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.629 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.624 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.623 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.621 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.611 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.610 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.595 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.587 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.584 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.583 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.574 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.572 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.566 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.566 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.557 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.551 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.545 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.540 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.539 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.537 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.537 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 3ied | AN2 | HSP90 | / | 0.535 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.531 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.531 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.527 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.526 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.525 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 2exl | GDM | Endoplasmin | / | 0.524 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 3rlp | 3RP | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2wi1 | ZZ2 | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.520 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.517 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.516 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.514 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.514 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.513 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.512 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 1u0z | RDC | Endoplasmin | / | 0.509 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.507 | |
| 2ior | ADP | Chaperone protein HtpG | / | 0.507 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.507 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.507 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2gqp | PA7 | Endoplasmin | / | 0.505 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 2gfd | RDA | Endoplasmin | / | 0.501 | |
| 2ye4 | 2FY | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 1ysz | NEC | Endoplasmin | / | 0.497 | |
| 2fyp | RDE | Endoplasmin | / | 0.497 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 2yi6 | 6QM | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.497 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.496 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 3hz1 | 37D | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.495 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 2yec | XQ0 | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.490 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.489 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.487 | |
| 2esa | GDM | Endoplasmin | / | 0.487 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.486 | |
| 4awo | 99B | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.481 | |
| 1qy5 | NEC | Endoplasmin | / | 0.478 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.478 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.478 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 2yjw | YJW | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.475 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 1qy8 | RDI | Endoplasmin | / | 0.473 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 2hch | N5A | Endoplasmin | / | 0.472 | |
| 1u2o | NEC | Endoplasmin | / | 0.471 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.471 | |
| 4fcq | 2N6 | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 2o1u | ANP | Endoplasmin | / | 0.466 | |
| 2ccu | 2D9 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.464 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.463 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.461 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 1yt0 | ADP | Endoplasmin | / | 0.460 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.459 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.459 | |
| 5a9s | NAP | Putative dehydrogenase | / | 0.458 | |
| 1i58 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.456 | |
| 3ft5 | MO8 | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2o1v | ADP | Endoplasmin | / | 0.454 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.454 | |
| 1i5b | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.453 | |
| 2zdx | P4A | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.452 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.452 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.451 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.451 | |
| 2ye9 | 2D4 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 4lht | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.451 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.450 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.450 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.448 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.448 | |
| 2hg1 | N5O | Endoplasmin | / | 0.447 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.447 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.447 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 2bu2 | ATP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.446 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.446 | |
| 3wrh | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3u9e | COA | Lmo1369 protein | / | 0.445 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.444 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.444 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.443 | |
| 4qxq | 1YE | Stimulator of interferon genes protein | / | 0.443 | |
| 2p6k | SAH | Diphthine synthase | / | 0.442 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.442 | |
| 4u9a | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.442 | |
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.441 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2hkj | RDC | Type 2 DNA topoisomerase 6 subunit B | / | 0.440 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.440 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.440 | |
| 4xiv | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.440 |