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 |
|---|---|---|---|
| 1u2o | NEC | Endoplasmin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1u2o | NEC | Endoplasmin | / | 1.000 | |
| 1ysz | NEC | Endoplasmin | / | 0.618 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.609 | |
| 2gqp | PA7 | Endoplasmin | / | 0.604 | |
| 2fyp | RDE | Endoplasmin | / | 0.589 | |
| 1u0z | RDC | Endoplasmin | / | 0.588 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.583 | |
| 1qy8 | RDI | Endoplasmin | / | 0.580 | |
| 2gfd | RDA | Endoplasmin | / | 0.579 | |
| 2hch | N5A | Endoplasmin | / | 0.577 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.574 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.571 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.567 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.563 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.561 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 1u0y | PA7 | Endoplasmin | / | 0.551 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.549 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.547 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 1qy5 | NEC | Endoplasmin | / | 0.542 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.542 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.541 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.536 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 2exl | GDM | Endoplasmin | / | 0.529 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.528 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.526 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.520 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.514 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.507 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.503 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.501 | |
| 2hg1 | N5O | Endoplasmin | / | 0.501 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.501 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.486 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.485 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.480 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.477 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.473 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.471 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.470 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.470 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.468 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.467 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.466 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.464 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.462 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.461 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.460 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.459 | |
| 4f65 | 0S9 | Fibroblast growth factor receptor 1 | / | 0.459 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.457 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.456 | |
| 2o1u | ANP | Endoplasmin | / | 0.456 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.456 | |
| 4kgm | ATP | Uncharacterized protein | / | 0.456 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.454 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1kfc | IPL | Tryptophan synthase alpha chain | / | 0.452 | |
| 1kzk | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.451 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.451 | |
| 2z6i | FMN | 2-nitropropane dioxygenase | / | 0.450 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1r2j | FAD | FkbI | / | 0.449 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 4gb9 | 0WR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.449 | |
| 1fm6 | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.447 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.447 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.447 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2npi | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.446 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.445 | |
| 2o1v | ADP | Endoplasmin | / | 0.445 | |
| 1i7g | AZ2 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 1m75 | CAA | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
| 2esa | GDM | Endoplasmin | / | 0.443 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.442 | |
| 1yt0 | ADP | Endoplasmin | / | 0.442 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 3tdj | 3TJ | Glutamate receptor 2 | / | 0.442 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.441 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3i7e | DJR | Gag-Pol polyprotein | / | 0.441 | |
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.440 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.440 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 3cuk | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.440 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.440 |