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 |
|---|---|---|---|
| 2p3q | SAH | Genome polyprotein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2p3q | SAH | Genome polyprotein | / | 1.000 | |
| 1l9k | SAH | Genome polyprotein | 2.7.7.48 | 0.586 | |
| 3p97 | SAM | Genome polyprotein | 2.1.1.56 | 0.584 | |
| 2pxa | SAH | Genome polyprotein | 2.7.7.48 | 0.577 | |
| 3p8z | SAH | Genome polyprotein | 2.1.1.56 | 0.573 | |
| 1r6a | SAH | Genome polyprotein | 2.7.7.48 | 0.560 | |
| 2p1d | SAH | Genome polyprotein | 2.7.7.48 | 0.557 | |
| 4ctj | SAM | Genome polyprotein | / | 0.555 | |
| 5dto | SAH | Genome polyprotein | / | 0.547 | |
| 3eld | SFG | Methyltransferase | / | 0.531 | |
| 3elu | SAM | Methyltransferase | / | 0.523 | |
| 5jjr | SAH | Genome polyprotein | / | 0.518 | |
| 5cuq | NSC | Genome polyprotein | / | 0.514 | |
| 3ely | SAH | Methyltransferase | / | 0.509 | |
| 5jjs | SAH | Genome polyprotein | / | 0.501 | |
| 3eva | SAH | Genome polyprotein | 2.1.1.56 | 0.500 | |
| 2px5 | SAH | Genome polyprotein | 2.7.7.48 | 0.494 | |
| 3evb | SAH | Genome polyprotein | 2.1.1.56 | 0.487 | |
| 3evc | SAH | Genome polyprotein | 2.1.1.56 | 0.486 | |
| 2px2 | SAH | Genome polyprotein | 2.7.7.48 | 0.478 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.462 | |
| 4h6r | FDA | Proline dehydrogenase | / | 0.461 | |
| 2g37 | FAD | Proline dehydrogenase | / | 0.455 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.455 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 4h2n | FAD | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase | / | 0.454 | |
| 2oxt | SAM | Genome polyprotein | / | 0.453 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.452 | |
| 4ddh | MS0 | Pantothenate synthetase | 6.3.2.1 | 0.452 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.450 | |
| 3ijd | C2F | Methylenetetrahydrofolate reductase | / | 0.448 | |
| 1kp2 | ATP | Argininosuccinate synthase | 6.3.4.5 | 0.446 | |
| 4ie6 | UN9 | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.446 | |
| 1uu9 | BI3 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
| 4g3p | UD1 | Bifunctional protein GlmU | / | 0.444 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 4xx0 | COA | Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial | 6.2.1.4 | 0.442 | |
| 3img | BZ3 | Pantothenate synthetase | 6.3.2.1 | 0.441 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.440 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.440 | |
| 3fwy | ADP | Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | / | 0.440 |