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 |
|---|---|---|---|
| 4bmo | FMN | Protein NrdI |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4bmo | FMN | Protein NrdI | / | 1.000 | |
| 4bmp | FMN | Protein NrdI | / | 0.554 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.480 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.472 | |
| 1z7y | AA5 | Cysteine synthase 1 | 2.5.1.47 | 0.471 | |
| 3b2s | B2S | Trichothecene 3-O-acetyltransferase | / | 0.465 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.461 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.456 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.452 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.452 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.452 | |
| 2xls | FAD | Putative flavin-containing monooxygenase | / | 0.451 | |
| 3ncr | ADP | Nitrogen regulatory protein P-II (GlnB-2) | / | 0.451 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.451 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.451 | |
| 3mpj | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.450 | |
| 4z9r | NAD | Omega-3 polyunsaturated fatty acid synthase subunit PfaD | / | 0.450 | |
| 1iy8 | NAD | Levodione reductase | / | 0.448 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.447 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.447 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.447 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.447 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.446 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.446 | |
| 1cbf | SAH | Cobalt-precorrin-4 C(11)-methyltransferase | 2.1.1.271 | 0.445 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.445 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.444 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.444 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.444 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.444 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.443 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.443 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.443 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 1mja | COA | Histone acetyltransferase ESA1 | / | 0.442 | |
| 2p20 | PRX | Acetyl-coenzyme A synthetase | / | 0.442 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.442 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.442 | |
| 4v12 | POG | MaoC like domain protein | / | 0.442 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.441 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
| 4loq | SB4 | Mitogen-activated protein kinase 14 | / | 0.441 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.440 | |
| 1v59 | FAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.440 | |
| 2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.440 |