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 |
|---|---|---|---|
| 3rlr | 3RR | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.671 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.649 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.632 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.622 | |
| 1ysz | NEC | Endoplasmin | / | 0.598 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.598 | |
| 1u0z | RDC | Endoplasmin | / | 0.592 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.590 | |
| 1qy8 | RDI | Endoplasmin | / | 0.588 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.583 | |
| 2gqp | PA7 | Endoplasmin | / | 0.580 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.571 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.568 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.566 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.565 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.564 | |
| 2hch | N5A | Endoplasmin | / | 0.560 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 1qy5 | NEC | Endoplasmin | / | 0.554 | |
| 1u0y | PA7 | Endoplasmin | / | 0.548 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.548 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 1u2o | NEC | Endoplasmin | / | 0.547 | |
| 2fyp | RDE | Endoplasmin | / | 0.545 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.533 | |
| 2gfd | RDA | Endoplasmin | / | 0.533 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.533 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 2hg1 | N5O | Endoplasmin | / | 0.529 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.523 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.517 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.512 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.508 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.501 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.501 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.493 | |
| 2exl | GDM | Endoplasmin | / | 0.492 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.489 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.488 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.484 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.481 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.480 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.473 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.468 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.465 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.465 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.465 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.463 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 4k28 | NAD | Shikimate dehydrogenase family protein | / | 0.459 | |
| 3ied | AN2 | HSP90 | / | 0.458 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.457 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.456 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.456 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.455 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.454 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.451 | |
| 2b4r | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.450 | |
| 4awo | 99B | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.449 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.447 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.446 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.443 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.443 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.442 | |
| 2o1u | ANP | Endoplasmin | / | 0.442 | |
| 4i8z | G08 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.442 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.441 | |
| 4k81 | GTP | GTPase HRas | / | 0.441 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.440 |