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 |
|---|---|---|---|
| 3mje | NDP | AmphB |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3mje | NDP | AmphB | / | 1.000 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.540 | |
| 4hxy | NDP | Plm1 | / | 0.517 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.516 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.511 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.505 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.496 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.496 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.489 | |
| 4kwh | NAP | Reductase homolog | / | 0.488 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.487 | |
| 4l4x | NDP | AmphI | / | 0.484 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.483 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.480 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.477 | |
| 1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.475 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.475 | |
| 3ru9 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.472 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.471 | |
| 3sju | NDP | Keto reductase | / | 0.471 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.471 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.471 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.470 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.470 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.470 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.469 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.468 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.466 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.465 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.465 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.464 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.464 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.462 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.461 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.460 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.459 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.459 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.458 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.458 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.456 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.455 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.454 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.454 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.454 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.454 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.453 | |
| 1udb | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.453 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.453 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.453 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.452 | |
| 3ru7 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.451 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.451 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.451 | |
| 3rue | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.450 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.449 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.449 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.449 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.448 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.448 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.448 | |
| 4lis | NAD | UDP-glucose 4-epimerase (Eurofung) | / | 0.448 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.447 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.447 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.447 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.446 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.445 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.443 | |
| 2npa | MMB | Peroxisome proliferator-activated receptor alpha | / | 0.443 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.442 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.442 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.441 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.441 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.441 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.441 | |
| 4yt5 | H4M | H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338 | / | 0.441 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.440 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3sdk | P3N | Proteasome subunit beta type-5 | 3.4.25.1 | 0.440 | |
| 3sdk | P3N | Proteasome subunit beta type-6 | 3.4.25.1 | 0.440 | |
| 4dsh | FDA | Uncharacterized protein | / | 0.440 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.440 |