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 |
|---|---|---|---|
| 3nwb | 659 | Catechol O-methyltransferase | 2.1.1.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nwb | 659 | Catechol O-methyltransferase | 2.1.1.6 | 1.000 | |
| 3nwe | 662 | Catechol O-methyltransferase | 2.1.1.6 | 0.619 | |
| 1jr4 | CL4 | Catechol O-methyltransferase | 2.1.1.6 | 0.600 | |
| 2zvj | KOM | Catechol O-methyltransferase | 2.1.1.6 | 0.598 | |
| 3a7d | FBN | Catechol O-methyltransferase | 2.1.1.6 | 0.579 | |
| 3hvk | 719 | Catechol O-methyltransferase | 2.1.1.6 | 0.577 | |
| 3nw9 | 637 | Catechol O-methyltransferase | 2.1.1.6 | 0.571 | |
| 3ozs | OZS | Catechol O-methyltransferase | 2.1.1.6 | 0.563 | |
| 5fhq | DNC | Catechol O-methyltransferase | 2.1.1.6 | 0.560 | |
| 3hvi | 619 | Catechol O-methyltransferase | 2.1.1.6 | 0.553 | |
| 3ozt | OZZ | Catechol O-methyltransferase | 2.1.1.6 | 0.541 | |
| 3r6t | LU1 | Catechol O-methyltransferase | 2.1.1.6 | 0.525 | |
| 3oe4 | 610 | Catechol O-methyltransferase | 2.1.1.6 | 0.508 | |
| 3ozr | OZR | Catechol O-methyltransferase | 2.1.1.6 | 0.498 | |
| 4i9z | 5BA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.468 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.464 | |
| 3d4b | DZD | NAD-dependent protein deacetylase | / | 0.462 | |
| 2zth | SAM | Catechol O-methyltransferase | 2.1.1.6 | 0.459 | |
| 3lga | SAH | tRNA (adenine(57)-N(1)/adenine(58)-N(1))-methyltransferase TrmI | 2.1.1.219 | 0.457 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.454 | |
| 2qcu | FAD | Aerobic glycerol-3-phosphate dehydrogenase | 1.1.5.3 | 0.452 | |
| 1rd4 | L08 | Integrin alpha-L | / | 0.450 | |
| 1xp6 | AIU | Estrogen receptor | / | 0.448 | |
| 1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.447 | |
| 1rfq | LAR | Actin, alpha skeletal muscle | / | 0.447 | |
| 3eon | 341 | Glutaryl-CoA dehydrogenase | / | 0.447 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 3oe5 | 611 | Catechol O-methyltransferase | 2.1.1.6 | 0.446 | |
| 3bgi | SAH | Thiopurine S-methyltransferase | 2.1.1.67 | 0.445 | |
| 3h4v | DVP | Pteridine reductase 1 | 1.5.1.33 | 0.445 | |
| 3w8w | FAD | Putative FAD-dependent oxygenase EncM | / | 0.445 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4phl | PIL | Phosphodiesterase | / | 0.444 | |
| 3bgv | SAH | mRNA cap guanine-N7 methyltransferase | 2.1.1.56 | 0.443 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 5e8j | SAH | mRNA cap guanine-N7 methyltransferase | 2.1.1.56 | 0.441 | |
| 1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 1so2 | 666 | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.440 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.440 | |
| 3sn7 | 540 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 |