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 |
|---|---|---|---|
| 4fcr | 0TM | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.644 | |
| 1ysz | NEC | Endoplasmin | / | 0.632 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.627 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.626 | |
| 2fyp | RDE | Endoplasmin | / | 0.603 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.602 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.596 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.595 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.591 | |
| 2gqp | PA7 | Endoplasmin | / | 0.588 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 1u0z | RDC | Endoplasmin | / | 0.580 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.580 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.578 | |
| 1u2o | NEC | Endoplasmin | / | 0.575 | |
| 2gfd | RDA | Endoplasmin | / | 0.575 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.575 | |
| 2hg1 | N5O | Endoplasmin | / | 0.574 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.574 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.571 | |
| 2hch | N5A | Endoplasmin | / | 0.567 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.563 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.560 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.558 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 1qy8 | RDI | Endoplasmin | / | 0.555 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.553 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.538 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.537 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 1qy5 | NEC | Endoplasmin | / | 0.534 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.531 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.530 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.529 | |
| 1u0y | PA7 | Endoplasmin | / | 0.527 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.525 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.519 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.517 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.515 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.515 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.513 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.509 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.503 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 2exl | GDM | Endoplasmin | / | 0.498 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.491 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.488 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.487 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.486 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.485 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 3ied | AN2 | HSP90 | / | 0.480 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.480 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.478 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.474 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.474 | |
| 3tjs | D0R | Cytochrome P450 3A4 | / | 0.473 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.473 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 2o1u | ANP | Endoplasmin | / | 0.470 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.467 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 2esa | GDM | Endoplasmin | / | 0.466 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.465 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.462 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.461 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.461 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.459 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.459 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.459 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.457 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 2o1v | ADP | Endoplasmin | / | 0.457 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 3eyh | IZA | Tyrosine-protein kinase JAK1 | / | 0.457 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.455 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 3lit | E15 | Protease | / | 0.455 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.454 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.453 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.451 | |
| 1vsv | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.451 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.451 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 4l4d | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.451 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.449 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.448 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.448 | |
| 2ekl | NAD | D-3-phosphoglycerate dehydrogenase | / | 0.447 | |
| 5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.447 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.446 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.445 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.444 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.444 | |
| 3liv | E16 | Protease | / | 0.444 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.444 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.444 | |
| 4cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.443 | |
| 2xvv | 9DN | Serum albumin | / | 0.442 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3t2v | KKJ | Peptidoglycan recognition protein 1 | / | 0.441 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.441 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.440 | |
| 2yjw | YJW | Heat shock protein HSP 90-alpha | / | 0.440 |