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 |
|---|---|---|---|
| 1k6m | AGS | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 | 2.7.1.105 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1k6m | AGS | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 | 2.7.1.105 | 1.000 | |
| 3qpv | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.608 | |
| 2i1v | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.595 | |
| 1bif | AGS | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 | 2.7.1.105 | 0.593 | |
| 2dwp | ACP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.574 | |
| 4ma4 | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.573 | |
| 2bif | ANP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 | 2.7.1.105 | 0.556 | |
| 2axn | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | / | 0.519 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.484 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.469 | |
| 3gob | HXX | DdmC | / | 0.466 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.456 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.456 | |
| 4lrz | ADP | PEP-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL | 2.7 | 0.456 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.455 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 2a5y | ATP | Cell death protein 4 | / | 0.454 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.453 | |
| 4nr4 | 2LK | CREB-binding protein | / | 0.452 | |
| 1qmf | KEF | Penicillin-binding protein 2x | / | 0.451 | |
| 3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.450 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.449 | |
| 3sp9 | IL2 | Peroxisome proliferator-activated receptor delta | / | 0.449 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.449 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.449 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.447 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.447 | |
| 3ggg | NAD | Prephenate dehydrogenase | / | 0.447 | |
| 3ic9 | FAD | Putative dihydrolipoamide dehydrogenase | / | 0.447 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.446 | |
| 1k6v | XN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.446 | |
| 3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.446 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 3rnn | RNN | Glutamate receptor 2 | / | 0.445 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.445 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.444 | |
| 1llq | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.444 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 3ef6 | FAD | Toluene 1,2-dioxygenase system ferredoxin--NAD(+) reductase component | 1.18.1.3 | 0.444 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.444 | |
| 3n7u | NAD | Formate dehydrogenase, chloroplastic/mitochondrial | / | 0.444 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.443 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3th8 | TH9 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.442 | |
| 1p7t | ACO | Malate synthase G | / | 0.441 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.441 | |
| 1qnf | FAD | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.440 |