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 |
|---|---|---|---|
| 1xgj | HTC | Beta-lactamase | 3.5.2.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1xgj | HTC | Beta-lactamase | 3.5.2.6 | 1.000 | |
| 1xgi | NST | Beta-lactamase | 3.5.2.6 | 0.622 | |
| 2r9x | WH6 | Beta-lactamase | 3.5.2.6 | 0.605 | |
| 2r9w | 23C | Beta-lactamase | 3.5.2.6 | 0.550 | |
| 1l2s | STC | Beta-lactamase | 3.5.2.6 | 0.543 | |
| 3gtc | GTC | Beta-lactamase | 3.5.2.6 | 0.501 | |
| 2pu2 | DK2 | Beta-lactamase | 3.5.2.6 | 0.499 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.481 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.469 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.463 | |
| 4bby | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.461 | |
| 5a3c | NAD | SIR2 family protein | / | 0.461 | |
| 5a3b | APR | SIR2 family protein | / | 0.460 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.457 | |
| 3wsw | NAD | L-lactate dehydrogenase | / | 0.456 | |
| 1y7l | ASN_LEU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.451 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.451 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.449 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.448 | |
| 3oet | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.448 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.448 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.447 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.447 | |
| 1kev | NDP | NADP-dependent isopropanol dehydrogenase | 1.1.1.80 | 0.446 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.446 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4d89 | BXD | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.443 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.443 | |
| 3cls | FAD | Electron transfer flavoprotein subunit alpha | / | 0.442 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.442 | |
| 3hyo | ADP | Pyridoxal kinase | / | 0.441 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.440 |