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 |
|---|---|---|---|
| 3vjk | M51 | Dipeptidyl peptidase 4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3vjk | M51 | Dipeptidyl peptidase 4 | / | 1.000 | |
| 3vjl | W94 | Dipeptidyl peptidase 4 | / | 0.746 | |
| 3ccb | B2Y | Dipeptidyl peptidase 4 | / | 0.617 | |
| 3f8s | PF2 | Dipeptidyl peptidase 4 | / | 0.610 | |
| 3qbj | NXZ | Dipeptidyl peptidase 4 | / | 0.596 | |
| 4ffw | 715 | Dipeptidyl peptidase 4 | / | 0.539 | |
| 2rgu | 356 | Dipeptidyl peptidase 4 | / | 0.505 | |
| 4g1f | 0WG | Dipeptidyl peptidase 4 | / | 0.474 | |
| 2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.467 | |
| 2oae | AIL | Dipeptidyl peptidase 4 | / | 0.465 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.464 | |
| 2b3d | FAD | Modulator of drug activity B | / | 0.458 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.458 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.456 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.456 | |
| 3hgo | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.454 | |
| 1vhz | APR | ADP compounds hydrolase NudE | 3.6.1 | 0.453 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.452 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.452 | |
| 2xje | U5P | Cytosolic purine 5'-nucleotidase | 3.1.3.5 | 0.451 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.447 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 1toi | HCI | Aspartate aminotransferase | 2.6.1.1 | 0.446 | |
| 2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 3g0c | RUF | Dipeptidyl peptidase 4 | / | 0.445 | |
| 2f98 | NGV | Aklanonic acid methyl ester cyclase AcmA | 5.5.1.23 | 0.444 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.444 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.444 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 3g0g | RUM | Dipeptidyl peptidase 4 | / | 0.441 | |
| 3elb | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.440 |