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 |
|---|---|---|---|
| 3ppo | DCK | Glycine betaine/carnitine/choline-binding protein OpuCC |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ppo | DCK | Glycine betaine/carnitine/choline-binding protein OpuCC | / | 1.000 | |
| 3ppr | 4CS | Glycine betaine/carnitine/choline-binding protein OpuCC | / | 0.543 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.485 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.473 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.467 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.463 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.459 | |
| 2npi | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.456 | |
| 3dva | TPW | Pyruvate dehydrogenase E1 component subunit alpha | 1.2.4.1 | 0.454 | |
| 3dva | TPW | Pyruvate dehydrogenase E1 component subunit beta | 1.2.4.1 | 0.454 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.454 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.452 | |
| 3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.451 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 3cty | FAD | Probable thioredoxin reductase | / | 0.449 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.449 | |
| 1l3i | SAH | Probable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating) | / | 0.448 | |
| 4a86 | H35 | Major pollen allergen Bet v 1-A | / | 0.448 | |
| 1cjk | FOK | Adenylate cyclase type 2 | / | 0.447 | |
| 1cjk | FOK | Adenylate cyclase type 5 | / | 0.447 | |
| 1pdh | FAS | p-hydroxybenzoate hydroxylase | / | 0.446 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.446 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4eak | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.445 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.442 | |
| 2is0 | I03 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.440 |