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 |
|---|---|---|---|
| 1u0z | RDC | Endoplasmin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1u0z | RDC | Endoplasmin | / | 1.000 | |
| 1ysz | NEC | Endoplasmin | / | 0.634 | |
| 2gqp | PA7 | Endoplasmin | / | 0.630 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.621 | |
| 2exl | GDM | Endoplasmin | / | 0.614 | |
| 2fyp | RDE | Endoplasmin | / | 0.607 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.606 | |
| 2hch | N5A | Endoplasmin | / | 0.600 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.599 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 1u2o | NEC | Endoplasmin | / | 0.592 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.590 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.589 | |
| 1qy8 | RDI | Endoplasmin | / | 0.588 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.588 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.586 | |
| 2gfd | RDA | Endoplasmin | / | 0.580 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.579 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.579 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.578 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.575 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.574 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.573 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.573 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.571 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.571 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.571 | |
| 1u0y | PA7 | Endoplasmin | / | 0.570 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.563 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.562 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.561 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.560 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.548 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.546 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.546 | |
| 1qy5 | NEC | Endoplasmin | / | 0.545 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.542 | |
| 2hg1 | N5O | Endoplasmin | / | 0.542 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.538 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.537 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.534 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.530 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.529 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.521 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.512 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 3ied | AN2 | HSP90 | / | 0.508 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.507 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.507 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.507 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 1yt0 | ADP | Endoplasmin | / | 0.498 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.495 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.490 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.485 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.485 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.485 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.484 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.482 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.482 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.478 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 2o1u | ANP | Endoplasmin | / | 0.475 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.474 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.467 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.467 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.467 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.465 | |
| 4bcr | WY1 | Peroxisome proliferator-activated receptor alpha | / | 0.465 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.464 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.463 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.459 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.458 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.456 | |
| 1nqo | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.453 | |
| 2esa | GDM | Endoplasmin | / | 0.451 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.447 | |
| 3lsh | FAD | Pyranose 2-oxidase | / | 0.447 | |
| 1meu | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.446 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.446 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.445 | |
| 2fde | 385 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 2xx5 | 13N | ATP-dependent molecular chaperone HSP82 | / | 0.445 | |
| 3r4b | 74T | Gag-Pol polyprotein | / | 0.445 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.444 | |
| 1hbv | GAN | Gag-Pol polyprotein | / | 0.444 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.442 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.442 | |
| 3ggx | GGX | Gag-Pol polyprotein | / | 0.442 | |
| 1fej | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2fdd | 385 | Pol protein | / | 0.441 | |
| 3vvp | BNU | Uncharacterized protein | / | 0.441 | |
| 1ep1 | FMN | Dihydroorotate dehydrogenase B (NAD(+)), catalytic subunit | 1.3.1.14 | 0.440 | |
| 1mui | AB1 | Protease | / | 0.440 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.440 | |
| 2vn9 | GVD | Calcium/calmodulin-dependent protein kinase type II subunit delta | 2.7.11.17 | 0.440 | |
| 3pt6 | SAH | DNA (cytosine-5)-methyltransferase 1 | 2.1.1.37 | 0.440 |