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 |
|---|---|---|---|
| 3kbz | 2T4 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3kbz | 2T4 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 1.000 | |
| 3kc0 | 2T5 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.651 | |
| 2y5k | YCU | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.551 | |
| 3kc1 | 2T6 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.549 | |
| 1lev | CLI | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.537 | |
| 2fhy | A37 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.501 | |
| 2wbd | RO5 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.500 | |
| 2wbb | RO3 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.489 | |
| 2jjk | R15 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.481 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.469 | |
| 4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.469 | |
| 3u9e | COA | Lmo1369 protein | / | 0.467 | |
| 4dpw | AGS | Mevalonate diphosphate decarboxylase | / | 0.466 | |
| 2o12 | FMN | Chorismate synthase | / | 0.460 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.459 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.459 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.459 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.459 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.457 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.456 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.456 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.454 | |
| 2xrl | DXT | Tetracycline repressor protein class D | / | 0.453 | |
| 3lfm | 3DT | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.453 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.453 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.451 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.450 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.450 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.449 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 5a3b | APR | SIR2 family protein | / | 0.447 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.445 | |
| 2oor | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.444 | |
| 4azm | T4B | Fatty acid-binding protein, epidermal | / | 0.444 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.444 | |
| 1aj8 | COA | Citrate synthase | / | 0.443 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.443 | |
| 2g78 | REA | Cellular retinoic acid-binding protein 2 | / | 0.443 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.442 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.442 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.441 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.441 | |
| 3a4l | ANP | L-seryl-tRNA(Sec) kinase | 2.7.1.164 | 0.441 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.441 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.440 | |
| 1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.440 | |
| 2wpx | ACO | Orf14 | / | 0.440 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.440 |