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 |
|---|---|---|---|
| 1in5 | ADP | Holliday junction ATP-dependent DNA helicase RuvB |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1in5 | ADP | Holliday junction ATP-dependent DNA helicase RuvB | / | 1.000 | |
| 1w5s | ADP | ORC1-type DNA replication protein 2 | / | 0.515 | |
| 2z4s | ADP | Chromosomal replication initiator protein DnaA | / | 0.489 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.479 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.476 | |
| 2qen | ADP | Walker-Type ATPase | / | 0.471 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.467 | |
| 3fhy | ATP | Pyridoxal kinase | 2.7.1.35 | 0.466 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.464 | |
| 3cgb | COA | Coenzyme A disulfide reductase | / | 0.461 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.461 | |
| 1pdh | FAS | p-hydroxybenzoate hydroxylase | / | 0.460 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.459 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.458 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.457 | |
| 3keu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.456 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.456 | |
| 3zuy | TCH | Transporter | / | 0.455 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.453 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.452 | |
| 1r6t | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.452 | |
| 3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 1tsv | UMP | Thymidylate synthase | / | 0.451 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.450 | |
| 4d7m | TDC | Tetracycline repressor protein class D | / | 0.450 | |
| 5cwa | 0GA | Anthranilate synthase component 1 | 4.1.3.27 | 0.450 | |
| 3h86 | AP5 | Adenylate kinase | / | 0.449 | |
| 4fdu | IHS | Putative multiple inositol polyphosphate histidine phosphatase 1 | / | 0.449 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.446 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.446 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.445 | |
| 3c15 | GSP | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | / | 0.445 | |
| 3kji | ADP | CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC | / | 0.445 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 4j75 | TYM | Tryptophan--tRNA ligase | / | 0.444 | |
| 1nhp | FAD | NADH peroxidase | 1.11.1.1 | 0.443 | |
| 1nja | DCM | Thymidylate synthase | / | 0.443 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1fcb | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.442 | |
| 1nhq | FAD | NADH peroxidase | 1.11.1.1 | 0.442 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2bri | ANP | Uridylate kinase | 2.7.4.22 | 0.442 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.442 | |
| 4a0r | DTB | Bifunctional dethiobiotin synthetase/7,8-diamino-pelargonic acid aminotransferase, mitochondrial | 6.3.3.3 | 0.441 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.440 | |
| 3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 |