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 |
|---|---|---|---|
| 1ra2 | FOL | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ra2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.606 | |
| 4fhb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.591 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.581 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.546 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 1ra8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.505 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.469 | |
| 1rb2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4x5h | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.465 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.461 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4x5i | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.455 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 2j07 | HDF | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.448 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3eek | 53S | Uncharacterized protein | / | 0.444 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.444 | |
| 4u8i | FDA | UDP-galactopyranose mutase | / | 0.444 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.443 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.443 | |
| 5dp2 | NAP | CurF | / | 0.443 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.442 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3gob | HXX | DdmC | / | 0.442 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.441 | |
| 3cse | N22 | Uncharacterized protein | / | 0.441 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 |