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 |
|---|---|---|---|
| 4dpy | 2P0 | Mevalonate diphosphate decarboxylase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dpy | 2P0 | Mevalonate diphosphate decarboxylase | / | 1.000 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.567 | |
| 4dpt | AGS | Mevalonate diphosphate decarboxylase | / | 0.492 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.473 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.454 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1dhi | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.450 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.449 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.449 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.448 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.447 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.446 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.446 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.445 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.445 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.444 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.443 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.443 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.443 | |
| 1fml | RTL | Retinol dehydratase | / | 0.442 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.442 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.442 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.442 | |
| 3w6h | AZM | Carbonic anhydrase 1 | 4.2.1.1 | 0.442 | |
| 2vwq | NAP | Glucose 1-dehydrogenase | / | 0.441 | |
| 3dv3 | MEK | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.441 | |
| 3wv7 | ADP | Hmd co-occurring protein HcgE | / | 0.441 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 |