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 |
|---|---|---|---|
| 2dc1 | NAD | Probable L-aspartate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2dc1 | NAD | Probable L-aspartate dehydrogenase | / | 1.000 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.479 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.478 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.469 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.465 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.464 | |
| 4jnk | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.461 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.460 | |
| 3wsw | NAD | L-lactate dehydrogenase | / | 0.459 | |
| 2x0i | NAI | Malate dehydrogenase | / | 0.458 | |
| 1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.457 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.457 | |
| 3gvi | ADP | Malate dehydrogenase | / | 0.456 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.456 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.456 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.455 | |
| 1ur5 | NAD | Malate dehydrogenase | / | 0.454 | |
| 1x1d | SAH | C-20 methyltransferase | / | 0.454 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.454 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.454 | |
| 1guy | NAD | Malate dehydrogenase | / | 0.453 | |
| 1uxk | NAD | Malate dehydrogenase | / | 0.453 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.453 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.452 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.452 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.452 | |
| 4eb5 | PLP | Cysteine desulfurase IscS 2 | / | 0.452 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.451 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.451 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.448 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.447 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.447 | |
| 3mpj | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.447 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.446 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.444 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.443 | |
| 3wyc | NAP | Meso-diaminopimelate D-dehydrogenase | 1.4.1.16 | 0.443 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.441 | |
| 1udb | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.441 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.441 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 3vyd | VYD | Renin | 3.4.23.15 | 0.441 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.440 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.440 | |
| 3kji | ADP | CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC | / | 0.440 | |
| 3vsw | R31 | Renin | 3.4.23.15 | 0.440 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.440 |