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 |
|---|---|---|---|
| 3sff | 0DI | Histone deacetylase 8 | 3.5.1.98 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3sff | 0DI | Histone deacetylase 8 | 3.5.1.98 | 1.000 | |
| 3sfh | 1DI | Histone deacetylase 8 | 3.5.1.98 | 0.575 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.471 | |
| 1w6j | R71 | Lanosterol synthase | 5.4.99.7 | 0.467 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.467 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.463 | |
| 3gx9 | TXD | Morphinone reductase | / | 0.463 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.463 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.462 | |
| 3ou2 | SAH | SAM-dependent methyltransferase | / | 0.461 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.458 | |
| 2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.458 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.456 | |
| 1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.455 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.455 | |
| 1pj6 | FOL | Dimethylglycine oxidase | 1.5.3.10 | 0.453 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.453 | |
| 3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 1aqu | EST | Estrogen sulfotransferase, testis isoform | 2.8.2.4 | 0.450 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.450 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.450 | |
| 1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.449 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.449 | |
| 3af0 | GDP | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.447 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.447 | |
| 3frk | TQP | QdtB | / | 0.447 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 3fu5 | 492 | Leukotriene A-4 hydrolase | 3.3.2.6 | 0.445 | |
| 1rfg | GMP | Purine nucleoside phosphorylase | 2.4.2.1 | 0.444 | |
| 1icq | OPD | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.443 | |
| 3dha | C6L | N-acyl homoserine lactonase AiiA | 3.1.1.81 | 0.443 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3pkb | Y16 | Methionine aminopeptidase 2 | / | 0.443 | |
| 1h61 | PDN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.442 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 1qzy | TDE | Methionine aminopeptidase 2 | / | 0.441 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
| 2g5w | 8PG | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.441 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.440 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.440 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.440 | |
| 2tpl | HPP | Tyrosine phenol-lyase | 4.1.99.2 | 0.440 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3k3e | PDB | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.440 |