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 |
|---|---|---|---|
| 4nm9 | FAD | Bifunctional protein PutA |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4nm9 | FAD | Bifunctional protein PutA | / | 1.000 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.647 | |
| 4nmb | FAD | Bifunctional protein PutA | / | 0.640 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.572 | |
| 1tj2 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.564 | |
| 3e2s | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.563 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.562 | |
| 1tj0 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.543 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.543 | |
| 1tj1 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.542 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.541 | |
| 2fzm | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.519 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.487 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.477 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.476 | |
| 3n0t | OPY | Dipeptidyl peptidase 2 | 3.4.14.2 | 0.474 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.473 | |
| 4jx1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.472 | |
| 2j9g | ANP | Biotin carboxylase | 6.3.4.14 | 0.471 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.467 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.467 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.465 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.464 | |
| 3nd1 | SAH | Precorrin-6A synthase (Deacetylating) | / | 0.462 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.461 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.460 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.459 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.459 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.459 | |
| 3l63 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.458 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.457 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 4c9o | CAM | Cytochrome P450 | / | 0.453 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.452 | |
| 4kky | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.451 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.451 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 5a3b | APR | SIR2 family protein | / | 0.451 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.450 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.450 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.449 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.449 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.449 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2h94 | FAD | Lysine-specific histone demethylase 1A | 1 | 0.448 | |
| 2xh9 | J01 | Uncharacterized protein | / | 0.448 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.447 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 4q0a | 4OA | Vitamin D3 receptor A | / | 0.446 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.445 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.445 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.445 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.445 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.444 | |
| 4iva | 1J5 | Tyrosine-protein kinase JAK2 | / | 0.444 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
| 2bxm | IMN | Serum albumin | / | 0.442 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.442 | |
| 3r7e | X88 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 3tqa | NDP | Dihydrofolate reductase | / | 0.442 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.442 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2y3r | TRK | TamL | / | 0.441 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.441 | |
| 4jhz | 1KV | Beta-glucuronidase | 3.2.1.31 | 0.441 | |
| 2fy4 | COA | Choline O-acetyltransferase | 2.3.1.6 | 0.440 | |
| 3fwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |