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 |
|---|---|---|---|
| 1ykd | CMP | Adenylate cyclase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ykd | CMP | Adenylate cyclase | / | 1.000 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.467 | |
| 2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.466 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 3u9e | COA | Lmo1369 protein | / | 0.459 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.456 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.456 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.455 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.447 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3b7d | CNI | Glutamate receptor 2 | / | 0.446 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.445 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 4aot | GW8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.444 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 2igo | FAD | Pyranose 2-oxidase | / | 0.443 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.442 | |
| 1u2g | APR | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.442 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.442 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 3we4 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.441 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.441 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.440 |