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 |
|---|---|---|---|
| 2zrf | DTP | Protein RecA |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2zrf | DTP | Protein RecA | / | 1.000 | |
| 2zro | ADP | Protein RecA | / | 0.640 | |
| 2zre | AGS | Protein RecA | / | 0.621 | |
| 2zrj | AGS | Protein RecA | / | 0.603 | |
| 1xp8 | AGS | Protein RecA | / | 0.554 | |
| 2zr9 | DTP | Protein RecA | / | 0.498 | |
| 1xmv | ADP | Protein RecA | / | 0.474 | |
| 5fl3 | ADP | Pili retraction protein PilT | / | 0.463 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.462 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.461 | |
| 1q12 | ATP | Maltose/maltodextrin import ATP-binding protein MalK | / | 0.458 | |
| 1gc5 | ADP | ADP-dependent glucokinase | 2.7.1.147 | 0.457 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.451 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 2fgj | ATP | Alpha-hemolysin translocation ATP-binding protein HlyB | / | 0.447 | |
| 4die | C5P | Cytidylate kinase | / | 0.447 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.446 | |
| 1a9z | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.445 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.445 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.445 | |
| 2get | COK | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.444 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1c3x | 8IG | Purine nucleoside phosphorylase | 2.4.2.1 | 0.442 | |
| 1cul | FOK | Adenylate cyclase type 2 | / | 0.442 | |
| 1cul | FOK | Adenylate cyclase type 5 | / | 0.442 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.442 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 3pww | ROC | Endothiapepsin | 3.4.23.22 | 0.442 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 4l8u | 9AZ | Serum albumin | / | 0.441 | |
| 5dp2 | NAP | CurF | / | 0.441 | |
| 1a9y | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.440 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.440 | |
| 3k3e | PDB | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 |