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 |
|---|---|---|---|
| 3ccb | B2Y | Dipeptidyl peptidase 4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ccb | B2Y | Dipeptidyl peptidase 4 | / | 1.000 | |
| 3vjk | M51 | Dipeptidyl peptidase 4 | / | 0.624 | |
| 3vjl | W94 | Dipeptidyl peptidase 4 | / | 0.614 | |
| 3qbj | NXZ | Dipeptidyl peptidase 4 | / | 0.585 | |
| 3f8s | PF2 | Dipeptidyl peptidase 4 | / | 0.538 | |
| 2aj8 | SC3 | Dipeptidyl peptidase 4 | / | 0.498 | |
| 4rvf | TYD | D-mycarose 3-C-methyltransferase | / | 0.486 | |
| 4ffw | 715 | Dipeptidyl peptidase 4 | / | 0.483 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.480 | |
| 2rgu | 356 | Dipeptidyl peptidase 4 | / | 0.479 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.479 | |
| 3elb | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.473 | |
| 2wzy | SQX | Soluble acetylcholine receptor | / | 0.466 | |
| 2anb | 5GP | Guanylate kinase | 2.7.4.8 | 0.456 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 4qfz | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.455 | |
| 4rvd | SAM | D-mycarose 3-C-methyltransferase | / | 0.455 | |
| 2oae | AIL | Dipeptidyl peptidase 4 | / | 0.452 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.451 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.445 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 4gdd | NAI | UDP-galactopyranose mutase | / | 0.444 | |
| 3g0g | RUM | Dipeptidyl peptidase 4 | / | 0.443 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.443 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.443 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.441 | |
| 1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.441 | |
| 2cv2 | GSU | Glutamate--tRNA ligase | 6.1.1.17 | 0.440 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.440 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.440 |