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 |
|---|---|---|---|
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 1.000 | |
| 2fzw | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.503 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.497 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.477 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.473 | |
| 4z24 | FAD | Putative GMC-type oxidoreductase R135 | 1 | 0.468 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.460 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.459 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.457 | |
| 4l0q | NAD | Alcohol dehydrogenase class-3 | / | 0.457 | |
| 3jzd | NAD | Maleylacetate reductase | / | 0.456 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.455 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.453 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.452 | |
| 2q4w | FAD | Cytokinin dehydrogenase 7 | 1.5.99.12 | 0.452 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.451 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.450 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.448 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.448 | |
| 5env | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.448 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1mp0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.446 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3rpe | FAD | Putative modulator of drug activity | / | 0.445 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.445 | |
| 5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 1eii | RTL | Retinol-binding protein 2 | / | 0.444 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4kqw | NAP | Ketol-acid reductoisomerase (NADP(+)) | / | 0.443 | |
| 1yqx | NAP | Sinapyl alcohol dehydrogenase | / | 0.442 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.442 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.441 | |
| 2cjf | RP4 | 3-dehydroquinate dehydratase | 4.2.1.10 | 0.441 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.441 | |
| 4bcr | WY1 | Peroxisome proliferator-activated receptor alpha | / | 0.440 |