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 |
|---|---|---|---|
| 2hms | NAI | Ktr system potassium uptake protein A |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2hms | NAI | Ktr system potassium uptake protein A | / | 1.000 | |
| 1hnj | MLC | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.472 | |
| 1f8r | FAD | L-amino-acid oxidase | 1.4.3.2 | 0.469 | |
| 1lsu | NAI | Ktr system potassium uptake protein A | / | 0.468 | |
| 1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.462 | |
| 4b1f | KRH | Glutamate racemase | / | 0.456 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.455 | |
| 5br4 | NAD | Lactaldehyde reductase | 1.1.1.77 | 0.455 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.452 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.452 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.452 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.451 | |
| 2b9w | FAD | Putative aminooxidase | / | 0.446 | |
| 3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.445 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.445 | |
| 1tqp | ATP | RIO-type serine/threonine-protein kinase Rio2 | 2.7.11.1 | 0.444 | |
| 3h86 | AP5 | Adenylate kinase | / | 0.444 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.444 | |
| 1iid | NHM | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.443 | |
| 3rus | ADP | Chaperonin | / | 0.443 | |
| 4grb | 0XG | Casein kinase II subunit alpha | 2.7.11.1 | 0.443 | |
| 4hfr | 14M | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 3ics | COA | Coenzyme A disulfide reductase | / | 0.441 | |
| 1m2p | HNA | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 3qd4 | 3Q6 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.440 | |
| 4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 4wq5 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.440 |