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 |
|---|---|---|---|
| 2qei | CXX | Na(+):neurotransmitter symporter (Snf family) |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2qei | CXX | Na(+):neurotransmitter symporter (Snf family) | / | 1.000 | |
| 2q6h | CXX | Na(+):neurotransmitter symporter (Snf family) | / | 0.847 | |
| 2q72 | IXX | Na(+):neurotransmitter symporter (Snf family) | / | 0.512 | |
| 2qju | DSM | Na(+):neurotransmitter symporter (Snf family) | / | 0.512 | |
| 3b5i | SAH | Indole-3-acetate O-methyltransferase 1 | / | 0.462 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.456 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 4l9q | 9TP | Serum albumin | / | 0.453 | |
| 2azy | CHD | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.452 | |
| 1ivr | CBA | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.451 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.450 | |
| 3gwu | SRE | Na(+):neurotransmitter symporter (Snf family) | / | 0.447 | |
| 4bbx | LKF | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 2azz | TCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.443 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.443 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.442 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.441 |