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 |
|---|---|---|---|
| 4m5p | FMN | NADPH dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4m5p | FMN | NADPH dehydrogenase | / | 1.000 | |
| 3tjl | FMN | NADPH dehydrogenase | / | 0.633 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.631 | |
| 4qai | FMN | NADPH dehydrogenase | / | 0.585 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.584 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.555 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.555 | |
| 1vji | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.553 | |
| 3hgr | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.553 | |
| 3hgo | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.544 | |
| 4rnv | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.543 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.541 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.540 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.538 | |
| 1ics | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.537 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.535 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.529 | |
| 1bwk | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.526 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.523 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.522 | |
| 4tmc | FMN | Old yellow enzyme | / | 0.521 | |
| 3hgs | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.519 | |
| 1q45 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.516 | |
| 4tmb | FMN | Old yellow enzyme | / | 0.515 | |
| 2q3r | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.514 | |
| 4e2b | FMN | Dehydrogenase | / | 0.512 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.510 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.510 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.509 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.508 | |
| 4jic | FMN | GTN Reductase | / | 0.504 | |
| 3p84 | FMN | Pentaerythritol tetranitrate reductase | / | 0.503 | |
| 4k7y | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.503 | |
| 4rnu | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.502 | |
| 2gou | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.499 | |
| 3gka | FMN | N-ethylmaleimide reductase | / | 0.498 | |
| 4awt | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.498 | |
| 1oyc | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.496 | |
| 4rnx | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.496 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.495 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.494 | |
| 4h6k | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.488 | |
| 4rnw | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.482 | |
| 4e2d | FMN | Dehydrogenase | / | 0.481 | |
| 1oya | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.480 | |
| 3l5l | FMN | Xenobiotic reductase | / | 0.480 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.477 | |
| 4a3u | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.476 | |
| 2gqa | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.475 | |
| 1szg | FNS | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.474 | |
| 2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 1fcb | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.468 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.464 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.464 | |
| 1kbi | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.461 | |
| 4aws | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.461 | |
| 3giy | FMN | (S)-mandelate dehydrogenase | 1.1.99.31 | 0.459 | |
| 3oix | FMN | Dihydroorotate dehydrogenase | / | 0.459 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 4qnw | FMN | Chanoclavine-I aldehyde reductase easA | / | 0.458 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.456 | |
| 1gox | FMN | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.455 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.455 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.454 | |
| 3bi2 | FAD | Polyamine oxidase FMS1 | / | 0.454 | |
| 4b5n | FMN | NAD(P)H:flavin oxidoreductase Sye4 | / | 0.454 | |
| 5ebu | FMN | Lactate oxidase | / | 0.454 | |
| 4opi | FDA | Conserved Archaeal protein | / | 0.452 | |
| 1szf | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.451 | |
| 2q3o | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.451 | |
| 4uth | FMN | Xenobiotic reductase | / | 0.450 | |
| 2cmj | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.449 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.448 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 2j6x | FMN | Lactate oxidase | / | 0.446 | |
| 3kru | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.443 | |
| 4rje | FNR | Lactate oxidase | / | 0.443 | |
| 1k02 | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.440 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.440 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.440 | |
| 2zfa | FMN | Lactate oxidase | / | 0.440 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.440 |