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 |
|---|---|---|---|
| 3nfa | CBJ | Gag-Pol polyprotein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nfa | CBJ | Gag-Pol polyprotein | / | 1.000 | |
| 4cjw | CBJ | Integrase | / | 0.773 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.462 | |
| 3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.459 | |
| 1osv | CHC | Bile acid receptor | / | 0.455 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.451 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.450 | |
| 4hfr | 14M | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 2e9c | B75 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.449 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.448 | |
| 1xuo | LA1 | Integrin alpha-L | / | 0.447 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.447 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.446 | |
| 4hfm | NAP | 2-alkenal reductase (NADP(+)-dependent) | / | 0.445 | |
| 5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.445 | |
| 3ics | COA | Coenzyme A disulfide reductase | / | 0.444 | |
| 3nf7 | CIW | Gag-Pol polyprotein | / | 0.444 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.443 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.443 | |
| 4gfv | PRO_GLU_LEU_THR_PTR | Tyrosine-protein phosphatase non-receptor type 18 | 3.1.3.48 | 0.442 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.441 | |
| 4b7x | NAP | Probable oxidoreductase | / | 0.441 | |
| 2vxo | XMP | GMP synthase [glutamine-hydrolyzing] | 6.3.5.2 | 0.440 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.440 |