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 |
|---|---|---|---|
| 3b9g | IMH | IAG-nucleoside hydrolase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3b9g | IMH | IAG-nucleoside hydrolase | / | 1.000 | |
| 1kie | AD3 | IAG-nucleoside hydrolase | / | 0.484 | |
| 1kic | NOS | IAG-nucleoside hydrolase | / | 0.461 | |
| 2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.456 | |
| 4jpg | 1OX | Pyruvate kinase PKM | 2.7.1.40 | 0.456 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.454 | |
| 2xlt | NA0 | Putative flavin-containing monooxygenase | / | 0.454 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 2gg3 | U13 | Methionine aminopeptidase | / | 0.450 | |
| 3cas | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.450 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.448 | |
| 2pb1 | NFG | Glucan 1,3-beta-glucosidase | / | 0.448 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.448 | |
| 1e6z | NGO | Chitinase | / | 0.447 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 4j7h | TRH | PCZA361.3 | / | 0.446 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3zj6 | VM2 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.444 | |
| 4mr7 | 2BV | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.444 | |
| 2gg0 | U11 | Methionine aminopeptidase | / | 0.443 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.442 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.442 | |
| 1tkc | M6T | Transketolase 1 | 2.2.1.1 | 0.442 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3r58 | NPS | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
| 4f0r | MTA | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | / | 0.442 | |
| 4wx2 | F6F | Tryptophan synthase alpha chain | / | 0.442 | |
| 4wx2 | F6F | Tryptophan synthase beta chain | 4.2.1.20 | 0.442 | |
| 5dp2 | NAP | CurF | / | 0.441 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.440 |