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 |
|---|---|---|---|
| 4w5k | PLP | Aspartate aminotransferase, mitochondrial |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4w5k | PLP | Aspartate aminotransferase, mitochondrial | / | 1.000 | |
| 1aka | PLP | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.518 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.482 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.479 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.467 | |
| 2vyq | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.463 | |
| 1oxo | IK2 | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.462 | |
| 2dft | ADP | Shikimate kinase | 2.7.1.71 | 0.460 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.460 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.459 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.458 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.458 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.457 | |
| 4f1l | 0RY | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.457 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.456 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.456 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.454 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.454 | |
| 4eb7 | PLP | Cysteine desulfurase IscS 2 | / | 0.454 | |
| 2ii6 | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.453 | |
| 2qs3 | UBE | Glutamate receptor ionotropic, kainate 1 | / | 0.452 | |
| 3ksq | Z96 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.451 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 4df2 | FMN | NADPH dehydrogenase | / | 0.450 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.449 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.449 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 2g25 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.448 | |
| 2oc9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.448 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 1icq | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.444 | |
| 3eu5 | GBO | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.444 | |
| 1n95 | HFP | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.443 | |
| 1n95 | HFP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.443 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4gdd | NAI | UDP-galactopyranose mutase | / | 0.443 | |
| 4hmz | 18T | dTDP-4-dehydro-6-deoxyglucose 3-epimerase | 5.1.3.27 | 0.443 | |
| 2wzy | SQX | Soluble acetylcholine receptor | / | 0.442 | |
| 3e32 | ED2 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.442 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.442 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.442 | |
| 1w34 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.441 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.441 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.441 | |
| 3toz | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
| 4bqz | GNP | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.441 | |
| 4eb5 | PLP | Cysteine desulfurase IscS 2 | / | 0.441 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.440 | |
| 3lqs | PSZ | D-alanine aminotransferase | 2.6.1.21 | 0.440 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.440 |