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 |
|---|---|---|---|
| 3fgd | BYA | Thermolysin | 3.4.24.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3fgd | BYA | Thermolysin | 3.4.24.27 | 1.000 | |
| 4h57 | 0PJ | Thermolysin | 3.4.24.27 | 0.722 | |
| 1qf2 | TI3 | Thermolysin | 3.4.24.27 | 0.688 | |
| 3t87 | UBZ | Thermolysin | 3.4.24.27 | 0.649 | |
| 3f28 | S7B | Thermolysin | 3.4.24.27 | 0.646 | |
| 4d9w | X32 | Thermolysin | 3.4.24.27 | 0.636 | |
| 4tmn | 0PK | Thermolysin | 3.4.24.27 | 0.630 | |
| 3t8c | UBW | Thermolysin | 3.4.24.27 | 0.629 | |
| 6tmn | 0PI | Thermolysin | 3.4.24.27 | 0.627 | |
| 2tmn | 0FA | Thermolysin | 3.4.24.27 | 0.616 | |
| 3for | ZNP | Thermolysin | 3.4.24.27 | 0.604 | |
| 3t74 | UBY | Thermolysin | 3.4.24.27 | 0.604 | |
| 3t8d | UBV | Thermolysin | 3.4.24.27 | 0.584 | |
| 4tln | LNO | Thermolysin | 3.4.24.27 | 0.580 | |
| 3t8h | UBS | Thermolysin | 3.4.24.27 | 0.571 | |
| 3f2p | S3B | Thermolysin | 3.4.24.27 | 0.519 | |
| 2a5h | SAM | L-lysine 2,3-aminomutase | 5.4.3.2 | 0.470 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.465 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.465 | |
| 1u1g | BBB | Uridine phosphorylase | 2.4.2.3 | 0.463 | |
| 3uth | GDU | UDP-galactopyranose mutase | / | 0.463 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 3ptz | NAD | UDP-glucose 6-dehydrogenase | 1.1.1.22 | 0.459 | |
| 4rnw | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.459 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.453 | |
| 4fry | NAD | Putative signal-transduction protein with CBS domains | / | 0.453 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.453 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.451 | |
| 3fvp | UB2 | Thermolysin | 3.4.24.27 | 0.451 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.451 | |
| 2nli | FMN | Lactate oxidase | / | 0.450 | |
| 2oz0 | FMN | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.450 | |
| 4ih7 | 1ER | Genome polyprotein | 2.7.7.48 | 0.450 | |
| 1qcw | FNS | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.449 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 1szg | FNS | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.447 | |
| 4xfj | ANP | Argininosuccinate synthase | / | 0.447 | |
| 3pzc | COA | Amino acid--[acyl-carrier-protein] ligase 1 | 6.2.1.n2 | 0.446 | |
| 4oaq | NDP | R-specific carbonyl reductase | / | 0.444 | |
| 2uzu | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 2wtk | ANP | STE20-related kinase adapter protein alpha | / | 0.443 | |
| 4e2w | JHZ | Methyltransferase | / | 0.443 | |
| 4mr9 | 2BX | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.443 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.442 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.441 | |
| 2b58 | COA | Diamine acetyltransferase 1 | / | 0.441 | |
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 | 0.440 |