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 |
|---|---|---|---|
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 1.000 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.608 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.575 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.564 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.563 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.557 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.553 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.551 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 1qy8 | RDI | Endoplasmin | / | 0.543 | |
| 1qy5 | NEC | Endoplasmin | / | 0.539 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 1u0z | RDC | Endoplasmin | / | 0.537 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.537 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 1ysz | NEC | Endoplasmin | / | 0.533 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.533 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.529 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 2hg1 | N5O | Endoplasmin | / | 0.522 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.521 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 1u0y | PA7 | Endoplasmin | / | 0.513 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.513 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2gqp | PA7 | Endoplasmin | / | 0.506 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.504 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.501 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.497 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.496 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.491 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.490 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.490 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 3ied | AN2 | HSP90 | / | 0.487 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.482 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.477 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.477 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.475 | |
| 2fyp | RDE | Endoplasmin | / | 0.473 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.472 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.470 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.467 | |
| 1u2o | NEC | Endoplasmin | / | 0.466 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.466 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 2gfd | RDA | Endoplasmin | / | 0.465 | |
| 2o1u | ANP | Endoplasmin | / | 0.465 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.465 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.464 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 2o1v | ADP | Endoplasmin | / | 0.462 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.462 | |
| 1p0h | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.461 | |
| 1yt0 | ADP | Endoplasmin | / | 0.461 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.459 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.454 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.454 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.454 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.453 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.453 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.452 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.450 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.450 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.448 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.448 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.447 | |
| 2hch | N5A | Endoplasmin | / | 0.447 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.446 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.445 | |
| 1xl2 | 189 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 2exl | GDM | Endoplasmin | / | 0.444 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.444 | |
| 3hx4 | ANP | Calmodulin-domain protein kinase 1 | / | 0.443 | |
| 2c27 | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.442 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 1hbv | GAN | Gag-Pol polyprotein | / | 0.441 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.441 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.441 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.441 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.440 |