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 |
|---|---|---|---|
| 1i7c | MGB | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1i7c | MGB | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 1.000 | |
| 3h0v | M2T | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.596 | |
| 3h0w | N8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.563 | |
| 1i7m | CG | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.547 | |
| 3dz7 | O8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.544 | |
| 3dz6 | M8E | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.529 | |
| 3dz4 | C8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.502 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.498 | |
| 3dz2 | A8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.496 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.483 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.480 | |
| 3gjw | GJW | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.480 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.472 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.472 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.470 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.470 | |
| 4m0f | 1YK | Acetylcholinesterase | 3.1.1.7 | 0.470 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.469 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.469 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.466 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.459 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.459 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.454 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.450 | |
| 4j7g | TRH | PCZA361.3 | / | 0.449 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.448 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.446 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 2ejz | SAH | Diphthine synthase | / | 0.445 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 4a80 | 2AN | Major pollen allergen Bet v 1-A | / | 0.445 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.444 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.444 | |
| 4u14 | 0HK | Muscarinic acetylcholine receptor M3 | / | 0.444 | |
| 4j7h | TRH | PCZA361.3 | / | 0.443 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.442 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 5d5a | CAU | Beta-2 adrenergic receptor | / | 0.441 |