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 |
|---|---|---|---|
| 2reh | FAD | Nitroalkane oxidase | 1.7.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2reh | FAD | Nitroalkane oxidase | 1.7.3.1 | 1.000 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.491 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.477 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.473 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.465 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.463 | |
| 4gev | CB3 | Thymidylate synthase | / | 0.461 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.452 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.451 | |
| 1ppj | ANY | Cytochrome b | / | 0.449 | |
| 2yoj | 8Y6 | Genome polyprotein | 2.7.7.48 | 0.448 | |
| 1esv | LAR | Actin, alpha skeletal muscle | / | 0.447 | |
| 3zbz | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.447 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.446 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.446 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 2e9d | B76 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.445 | |
| 3bgx | TMP | Thymidylate synthase | / | 0.445 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.444 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.444 | |
| 2qd5 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 3anm | SYD | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.443 | |
| 3gnv | XNZ | Genome polyprotein | 2.7.7.48 | 0.443 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.442 | |
| 5a3b | APR | SIR2 family protein | / | 0.442 | |
| 1r2j | FAD | FkbI | / | 0.441 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.441 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.441 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.441 |