sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3rpe | FAD | Putative modulator of drug activity |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3rpe | FAD | Putative modulator of drug activity | / | 1.000 | |
| 2b3d | FAD | Modulator of drug activity B | / | 0.575 | |
| 4r81 | FMN | Predicted NADH dehydrogenase | / | 0.482 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.479 | |
| 4eb5 | PLP | Cysteine desulfurase IscS 2 | / | 0.479 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.478 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.476 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.474 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.469 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.468 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.467 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.467 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.465 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.464 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.463 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.462 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.461 | |
| 4eb7 | PLP | Cysteine desulfurase IscS 2 | / | 0.461 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.460 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.459 | |
| 2wf4 | ZY4 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.458 | |
| 3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 4eak | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.455 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.454 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.453 | |
| 3skg | PB8 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 2f3f | AXF | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 2iqg | F2I | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4dpi | 0N1 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.451 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.450 | |
| 3vsx | R32 | Renin | 3.4.23.15 | 0.450 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.448 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.448 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.448 | |
| 3pi5 | 3P5 | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.448 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.447 | |
| 2igo | FAD | Pyranose 2-oxidase | / | 0.447 | |
| 2po3 | T4K | 4-dehydrase | / | 0.447 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.447 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.447 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.447 | |
| 2oah | QIN | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.446 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.446 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.445 | |
| 2b8l | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.445 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.444 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
| 3k5f | AYH | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4e2d | FMN | Dehydrogenase | / | 0.444 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.443 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.443 | |
| 1dxo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.442 | |
| 2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 3wid | NAP | Glucose 1-dehydrogenase | / | 0.442 | |
| 4i0h | 1BL | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.441 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.441 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.441 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.440 |