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 |
|---|---|---|---|
| 1ysz | NEC | Endoplasmin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ysz | NEC | Endoplasmin | / | 1.000 | |
| 1u0z | RDC | Endoplasmin | / | 0.604 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.600 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.588 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.587 | |
| 2fyp | RDE | Endoplasmin | / | 0.579 | |
| 1u2o | NEC | Endoplasmin | / | 0.576 | |
| 2gqp | PA7 | Endoplasmin | / | 0.564 | |
| 2hch | N5A | Endoplasmin | / | 0.559 | |
| 1qy8 | RDI | Endoplasmin | / | 0.555 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.554 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 2hg1 | N5O | Endoplasmin | / | 0.545 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.544 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.541 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.541 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.535 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 1u0y | PA7 | Endoplasmin | / | 0.524 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.521 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.520 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2gfd | RDA | Endoplasmin | / | 0.514 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.511 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.511 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.509 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.509 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.501 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.492 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.489 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.487 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.486 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.484 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 1qy5 | NEC | Endoplasmin | / | 0.483 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.483 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.478 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.474 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.466 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.461 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.461 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.460 | |
| 2exl | GDM | Endoplasmin | / | 0.459 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.456 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.455 | |
| 3cuk | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.455 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.455 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 4f65 | 0S9 | Fibroblast growth factor receptor 1 | / | 0.451 | |
| 1a8g | 2Z4 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.448 | |
| 3vvp | BNU | Uncharacterized protein | / | 0.448 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.447 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.446 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.445 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.444 | |
| 4a28 | ADP | Kinesin-like protein KIF11 | / | 0.444 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.442 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.442 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.442 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.441 | |
| 1idb | 0DO | Gag-Pol polyprotein | / | 0.440 | |
| 3d1z | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.440 |