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 |
|---|---|---|---|
| 1nvm | NAD | Acetaldehyde dehydrogenase | 1.2.1.10 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1nvm | NAD | Acetaldehyde dehydrogenase | 1.2.1.10 | 1.000 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.497 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.496 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.479 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.479 | |
| 2i3g | NAP | N-acetyl-gamma-glutamyl-phosphate reductase | 1.2.1.38 | 0.478 | |
| 4wji | NAP | Putative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase | / | 0.472 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.471 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.470 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.469 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.469 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.469 | |
| 2jd1 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.467 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.467 | |
| 2xaa | NAD | Secondary alcohol dehydrogenase | / | 0.465 | |
| 4dpl | NAP | Malonyl-CoA reductase | 1.2.1.75 | 0.464 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.463 | |
| 3abi | NAD | Uncharacterized protein | / | 0.463 | |
| 3nf4 | FAD | Acyl-CoA dehydrogenase domain-containing protein | / | 0.463 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.462 | |
| 3ggp | NAD | Prephenate dehydrogenase | / | 0.459 | |
| 1p0f | NAP | NADP-dependent alcohol dehydrogenase | 1.1.1.2 | 0.458 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.458 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.457 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.456 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.456 | |
| 4kqw | NAP | Ketol-acid reductoisomerase (NADP(+)) | / | 0.456 | |
| 1t9g | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.455 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.455 | |
| 3two | NDP | Mannitol dehydrogenase | / | 0.455 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.454 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.454 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.454 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.453 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.453 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.453 | |
| 3p4t | FAO | Putative acyl-CoA dehydrogenase | / | 0.452 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.452 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.452 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 5jsc | FAD | Putative acyl-CoA dehydrogenase | / | 0.452 | |
| 1egd | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.451 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.451 | |
| 2gh5 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.451 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.451 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.451 | |
| 1yqd | NAP | Sinapyl alcohol dehydrogenase | / | 0.450 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.450 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.450 | |
| 2fon | FAD | Acyl-coenzyme A oxidase | / | 0.449 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.449 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.447 | |
| 4nu5 | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.447 | |
| 1yqx | NAP | Sinapyl alcohol dehydrogenase | / | 0.446 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.446 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 1xl8 | 152 | Peroxisomal carnitine O-octanoyltransferase | 2.3.1.137 | 0.445 | |
| 4al4 | W7E | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.445 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.445 | |
| 1grb | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.444 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4iv6 | FDA | Isovaleryl-CoA dehydrogenase | / | 0.444 | |
| 1a71 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 5hws | NAP | 2-dehydropantoate 2-reductase | / | 0.443 | |
| 1kev | NDP | NADP-dependent isopropanol dehydrogenase | 1.1.1.80 | 0.442 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.442 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.442 | |
| 1jqi | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | / | 0.441 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.441 | |
| 2dbr | NAP | Glyoxylate reductase | 1.1.1.26 | 0.441 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.441 | |
| 4qec | NAP | ElxO | / | 0.441 | |
| 5dp2 | NAP | CurF | / | 0.441 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.440 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.440 | |
| 3owa | FAD | Acyl-CoA dehydrogenase | / | 0.440 |