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 |
|---|---|---|---|
| 1wl4 | COA | Acetyl-CoA acetyltransferase, cytosolic | 2.3.1.9 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1wl4 | COA | Acetyl-CoA acetyltransferase, cytosolic | 2.3.1.9 | 1.000 | |
| 2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.540 | |
| 2ibu | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.510 | |
| 4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.509 | |
| 2iby | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.483 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.474 | |
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 | 0.472 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.468 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.467 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 1eno | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic | 1.3.1.9 | 0.448 | |
| 1d3d | BZT | Prothrombin | 3.4.21.5 | 0.445 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.442 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.442 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.441 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.441 | |
| 4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 4twn | B96 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
| 3zpq | XF5 | Beta-1 adrenergic receptor | / | 0.440 |