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 |
|---|---|---|---|
| 2qe0 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2qe0 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 1.000 | |
| 2euh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.632 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.601 | |
| 1qi1 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.566 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.528 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.472 | |
| 1ie9 | VDX | Vitamin D3 receptor | / | 0.467 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.463 | |
| 2xdr | NDP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.462 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.462 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.461 | |
| 3w0a | DS5 | Vitamin D3 receptor | / | 0.461 | |
| 3w0i | O11 | Vitamin D3 receptor | / | 0.461 | |
| 1ie8 | KH1 | Vitamin D3 receptor | / | 0.460 | |
| 1gjr | NAP | Ferredoxin--NADP reductase | 1.18.1.2 | 0.457 | |
| 2jg7 | NAD | Antiquitin | / | 0.457 | |
| 4zvy | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.457 | |
| 1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.456 | |
| 1t1r | IMB | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.456 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.456 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.456 | |
| 1fdu | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.455 | |
| 4hl1 | ZZ7 | Metallo-beta-lactamase type 2 | / | 0.455 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.454 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.454 | |
| 4wdb | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.453 | |
| 3m8p | 65B | Gag-Pol polyprotein | 2.7.7.49 | 0.452 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.451 | |
| 3zvv | XAZ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.449 | |
| 1s0z | EB1 | Vitamin D3 receptor | / | 0.448 | |
| 1aiq | CB3 | Thymidylate synthase | / | 0.447 | |
| 1e7a | PFL | Serum albumin | / | 0.446 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.446 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.446 | |
| 1xu9 | CPS | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.446 | |
| 2has | C3O | Vitamin D3 receptor | / | 0.446 | |
| 2ilt | NN1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.446 | |
| 4jlj | 1NM | Deoxycytidine kinase | 2.7.1.74 | 0.446 | |
| 4jlk | 1NO | Deoxycytidine kinase | 2.7.1.74 | 0.446 | |
| 4l9q | 9TP | Serum albumin | / | 0.446 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.445 | |
| 1db1 | VDX | Vitamin D3 receptor | / | 0.444 | |
| 1dkf | BMS | Retinoic acid receptor alpha | / | 0.444 | |
| 3igo | ANP | Calmodulin-domain protein kinase 1, putative | / | 0.444 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.444 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.444 | |
| 2hen | ADP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.443 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.443 | |
| 3a78 | 3EV | Vitamin D3 receptor | / | 0.443 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.443 | |
| 3iae | D7K | Benzaldehyde lyase | / | 0.442 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.442 | |
| 4l8u | 9AZ | Serum albumin | / | 0.442 | |
| 1s19 | MC9 | Vitamin D3 receptor | / | 0.441 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.441 | |
| 2ji9 | TPW | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.441 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.440 | |
| 3h0a | D30 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3maa | FKP | Adenylate cyclase type 2 | / | 0.440 | |
| 3maa | FKP | Adenylate cyclase type 5 | / | 0.440 | |
| 3tea | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.440 | |
| 3u8k | 09P | Acetylcholine-binding protein | / | 0.440 |