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 |
|---|---|---|---|
| 4ubt | COA | Steroid 3-ketoacyl-CoA thiolase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ubt | COA | Steroid 3-ketoacyl-CoA thiolase | / | 1.000 | |
| 4ubv | COA | Steroid 3-ketoacyl-CoA thiolase | / | 0.527 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.460 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.457 | |
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 | 0.455 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 3w0g | W07 | Vitamin D3 receptor | / | 0.453 | |
| 4bfs | ZVS | Pantothenate kinase | 2.7.1.33 | 0.452 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.451 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.450 | |
| 3w6h | AZM | Carbonic anhydrase 1 | 4.2.1.1 | 0.448 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 3tnl | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.447 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.447 | |
| 4phl | PIL | Phosphodiesterase | / | 0.447 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.446 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.446 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.445 | |
| 2fj1 | CTC | Tetracycline repressor protein class D | / | 0.444 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.444 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.442 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.442 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.442 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.442 | |
| 5irn | ADP | Nucleotide binding oligomerization domain containing 2 | / | 0.442 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.441 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.440 | |
| 3rpe | FAD | Putative modulator of drug activity | / | 0.440 | |
| 3t4h | MD5 | Alpha-ketoglutarate-dependent dioxygenase AlkB | 1.14.11.33 | 0.440 | |
| 4fnc | HMU | G/T mismatch-specific thymine DNA glycosylase | 3.2.2.29 | 0.440 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
| 4r1l | ADP | Phenylacetate-coenzyme A ligase | / | 0.440 |