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 |
|---|---|---|---|
| 2puh | HPK | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase | 3.7.1.8 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2puh | HPK | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase | 3.7.1.8 | 1.000 | |
| 2rht | C1E | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase | 3.7.1.8 | 0.762 | |
| 2puj | HPZ | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase | 3.7.1.8 | 0.557 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 1v7a | FRC | Adenosine deaminase | 3.5.4.4 | 0.457 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.457 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 2yne | YNE | Glycylpeptide N-tetradecanoyltransferase | / | 0.454 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.454 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.452 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 3vjh | J35 | Peroxisome proliferator-activated receptor gamma | / | 0.451 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.444 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1fml | RTL | Retinol dehydratase | / | 0.443 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 1qxl | FR8 | Adenosine deaminase | 3.5.4.4 | 0.442 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 2zno | S44 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.442 | |
| 4n70 | 2HX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.442 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 4klr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.441 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.440 |