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 |
|---|---|---|---|
| 3rh7 | FMN | Uncharacterized protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3rh7 | FMN | Uncharacterized protein | / | 1.000 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.471 | |
| 2h2e | SA8 | Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic | 2.1.1.127 | 0.466 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.465 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.464 | |
| 4blr | UTP | NTPase P4 | / | 0.463 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.462 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.459 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.459 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.459 | |
| 1ra3 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.457 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 4bri | UNP | Ectonucleoside triphosphate diphosphohydrolase I | / | 0.454 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.453 | |
| 2q3e | NAI | UDP-glucose 6-dehydrogenase | 1.1.1.22 | 0.453 | |
| 3cty | FAD | Probable thioredoxin reductase | / | 0.452 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.452 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.451 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3ajr | NAD | NDP-sugar epimerase | / | 0.450 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.450 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.450 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.449 | |
| 4b4v | L34 | Bifunctional protein FolD | / | 0.449 | |
| 3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.448 | |
| 4lol | 1YE | Stimulator of interferon genes protein | / | 0.448 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1y7l | ASN_LEU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.447 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1rz1 | FAD | Phenol 2-hydroxylase component B | / | 0.446 | |
| 2ed4 | FAD | 4-hydroxyphenylacetate 3-monooxygenase reductase component | 1.5.1.36 | 0.446 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.445 | |
| 1gtr | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.444 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 5ein | NAP | [LysW]-L-2-aminoadipate 6-phosphate reductase | / | 0.444 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3w1x | XRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.443 | |
| 5d3q | GDP | Dynamin-1 | 3.6.5.5 | 0.443 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.442 | |
| 1kh3 | ANP | Argininosuccinate synthase | / | 0.442 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.442 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.442 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 4jwf | SAH | tRNA (guanine(9)-N1)-methyltransferase | / | 0.442 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.441 | |
| 2b4t | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.440 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.440 |