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 |
|---|---|---|---|
| 2z0x | 5CA | Uncharacterized protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2z0x | 5CA | Uncharacterized protein | / | 1.000 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.485 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.471 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.463 | |
| 1kvu | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.462 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.462 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.461 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.460 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.460 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.459 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.458 | |
| 4a61 | ANP | Plasmid segregation protein ParM | / | 0.458 | |
| 2yyi | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.457 | |
| 1sny | NAP | LD36273p | / | 0.456 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.455 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.454 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.453 | |
| 2hyd | ADP | Putative multidrug export ATP-binding/permease protein SAV1866 | 3.6.3 | 0.453 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.453 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.453 | |
| 5kgp | ACO | Predicted acetyltransferase | / | 0.452 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.451 | |
| 3etg | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.451 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.451 | |
| 4kwh | NAP | Reductase homolog | / | 0.451 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.451 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.451 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.450 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.450 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.449 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.449 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.449 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 3c1y | 2BA | DNA integrity scanning protein DisA | / | 0.448 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.448 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.448 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.447 | |
| 3gob | HXX | DdmC | / | 0.447 | |
| 4ien | COA | Putative acyl-CoA hydrolase | / | 0.447 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.447 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.446 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4h8a | NAI | Ureidoglycolate dehydrogenase (NAD(+)) | 1.1.1.350 | 0.446 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.446 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.446 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.445 | |
| 2o4c | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.445 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.445 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 2har | OCC | Vitamin D3 receptor | / | 0.444 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.444 | |
| 4die | C5P | Cytidylate kinase | / | 0.444 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.444 | |
| 1dxo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 1xkv | ATP | Phosphoenolpyruvate carboxykinase (ATP) | / | 0.443 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.443 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.443 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.443 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.443 | |
| 1a9z | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.442 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.442 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.442 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.442 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.441 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.441 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.441 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.441 | |
| 3apf | BMW | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.441 | |
| 4rnu | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.441 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.440 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.440 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.440 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.440 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.440 | |
| 4n9i | PCG | Catabolite expression activator | / | 0.440 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.440 |