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 |
|---|---|---|---|
| 2c29 | NAP | Dihydroflavonol 4-reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 1.000 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.852 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.545 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.541 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.531 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.526 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.520 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.516 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.514 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.512 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.511 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.511 | |
| 4hxy | NDP | Plm1 | / | 0.510 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.509 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.506 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.503 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.500 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.500 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.499 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.498 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.498 | |
| 4kwh | NAP | Reductase homolog | / | 0.498 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.497 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.495 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.493 | |
| 2b4q | NAP | Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.491 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.491 | |
| 2hyd | ADP | Putative multidrug export ATP-binding/permease protein SAV1866 | 3.6.3 | 0.490 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.490 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.490 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.490 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.490 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.488 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.487 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.486 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.486 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.485 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.485 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.484 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.483 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.483 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.483 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.482 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.482 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.482 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.482 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.482 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.482 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.480 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.478 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.478 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.478 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.475 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.473 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.472 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.472 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.471 | |
| 1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.469 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.468 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.468 | |
| 4l4x | NDP | AmphI | / | 0.467 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.466 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.464 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.463 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.462 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.462 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.462 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.462 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.462 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.461 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.461 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.461 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.460 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.460 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.459 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.459 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.459 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.458 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.458 | |
| 1fcb | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.457 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.457 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.457 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.456 | |
| 4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.456 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.455 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 2dgn | DOI | Adenylosuccinate synthetase isozyme 1 | / | 0.453 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.453 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.452 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.452 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.451 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.450 | |
| 2yq9 | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.450 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.450 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.450 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.449 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.449 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.449 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.448 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.448 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.448 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.447 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.447 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.446 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.446 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.445 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.445 | |
| 1f8g | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.444 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1mja | COA | Histone acetyltransferase ESA1 | / | 0.444 | |
| 1t9g | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.444 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.444 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.444 | |
| 3mje | NDP | AmphB | / | 0.444 | |
| 3vye | VYE | Renin | 3.4.23.15 | 0.444 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.443 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.443 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.442 | |
| 1ju2 | FAD | (R)-mandelonitrile lyase 2 | 4.1.2.10 | 0.442 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.442 | |
| 2gmh | FAD | Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial | 1.5.5.1 | 0.442 | |
| 2y99 | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.442 | |
| 1f8w | FAD | NADH peroxidase | 1.11.1.1 | 0.441 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2rm2 | W43 | Genome polyprotein | / | 0.441 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 3sju | NDP | Keto reductase | / | 0.441 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.440 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.440 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.440 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.440 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.440 |