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 |
|---|---|---|---|
| 3a37 | ADP | ATPase GET3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3a37 | ADP | ATPase GET3 | / | 1.000 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.470 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.460 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.455 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.454 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.452 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.452 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.452 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.450 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.449 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.447 | |
| 3fsu | FAD | 5,10-methylenetetrahydrofolate reductase | 1.5.1.20 | 0.447 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.447 | |
| 1f8w | FAD | NADH peroxidase | 1.11.1.1 | 0.446 | |
| 3dv3 | MEK | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.446 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.446 | |
| 4i9n | 1E5 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.446 | |
| 3ieu | GDP | GTPase Era | / | 0.445 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.444 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.444 | |
| 3h06 | VBP | Glutamate receptor 2 | / | 0.444 | |
| 3tne | RIT | Candidapepsin-1 | 3.4.23.24 | 0.444 | |
| 4dzz | ADP | Plasmid partitioning protein ParF | / | 0.444 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.442 | |
| 2ax4 | ADP | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 | 2.7.1.25 | 0.442 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.442 | |
| 4dfg | 0JV | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4jnk | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.442 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.441 | |
| 2fut | H1S | Heparin and heparin-sulfate lyase | / | 0.440 |