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 |
|---|---|---|---|
| 3r3s | NAD | Putative oxidoreductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3r3s | NAD | Putative oxidoreductase | / | 1.000 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.588 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.519 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.512 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.507 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.506 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.499 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.491 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.491 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.491 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.491 | |
| 2p5u | NAD | UDP-glucose 4-epimerase | / | 0.490 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.489 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.489 | |
| 1bdb | NAD | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | / | 0.488 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.488 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.487 | |
| 1iy8 | NAD | Levodione reductase | / | 0.487 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.487 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.486 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.484 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.484 | |
| 4iqg | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.481 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.481 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.478 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.477 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.477 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.476 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.475 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.473 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.472 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.470 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.468 | |
| 1sny | NAP | LD36273p | / | 0.465 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.464 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.463 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.463 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.462 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.460 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.460 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.460 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.460 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.459 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.458 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.457 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.456 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.456 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.455 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.453 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.452 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.450 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.450 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.450 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.449 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.449 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.449 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.449 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.448 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.448 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.447 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.447 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.446 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.446 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.445 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.445 | |
| 1uay | ADN | Oxidoreductase | / | 0.444 | |
| 3s5w | FAD | L-ornithine N(5)-monooxygenase | / | 0.442 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.442 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.441 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.440 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.440 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |