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 |
|---|---|---|---|
| 3uax | NOS | Purine nucleoside phosphorylase DeoD-type |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3uax | NOS | Purine nucleoside phosphorylase DeoD-type | / | 1.000 | |
| 3uay | ADN | Purine nucleoside phosphorylase DeoD-type | / | 0.626 | |
| 3uaw | ADN | Purine nucleoside phosphorylase DeoD-type | / | 0.588 | |
| 4da7 | AC2 | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.553 | |
| 4da0 | GNG | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.547 | |
| 1pr1 | FMB | Purine nucleoside phosphorylase DeoD-type | / | 0.523 | |
| 4da6 | GA2 | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.521 | |
| 4dan | 2FA | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.517 | |
| 1pk9 | 2FA | Purine nucleoside phosphorylase DeoD-type | / | 0.514 | |
| 2bsx | NOS | Purine nucleoside phosphorylase | / | 0.509 | |
| 4ttj | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.490 | |
| 1pr0 | NOS | Purine nucleoside phosphorylase DeoD-type | / | 0.472 | |
| 1pr4 | MTP | Purine nucleoside phosphorylase DeoD-type | / | 0.470 | |
| 2isc | 223 | Purine nucleoside phosphorylase, putative | / | 0.470 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.468 | |
| 4tta | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.468 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.466 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.465 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.465 | |
| 1pr6 | XYA | Purine nucleoside phosphorylase DeoD-type | / | 0.464 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.464 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.464 | |
| 2ejz | SAH | Diphthine synthase | / | 0.463 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.460 | |
| 1c7o | PPG | Hemolysin | / | 0.459 | |
| 3fun | 798 | Leukotriene A-4 hydrolase | 3.3.2.6 | 0.459 | |
| 4da8 | BG2 | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.459 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.457 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.457 | |
| 1fml | RTL | Retinol dehydratase | / | 0.455 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1wam | FAD | UDP-galactopyranose mutase | 5.4.99.9 | 0.453 | |
| 1yhj | R6C | Pyridoxal kinase | 2.7.1.35 | 0.453 | |
| 4ts9 | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.453 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.452 | |
| 2psw | COA | N-alpha-acetyltransferase 50 | / | 0.451 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.451 | |
| 1a69 | FMB | Purine nucleoside phosphorylase DeoD-type | / | 0.450 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.450 | |
| 2ilv | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.450 | |
| 4pd6 | URI | Nucleoside permease | / | 0.449 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.449 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.448 | |
| 2vkm | BSD | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 3aut | NAI | Glucose 1-dehydrogenase 4 | 1.1.1.47 | 0.448 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 3gyu | DL7 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.448 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 1pke | 2FD | Purine nucleoside phosphorylase DeoD-type | / | 0.447 | |
| 4wec | NAD | Short chain dehydrogenase | / | 0.447 | |
| 5dp2 | NAP | CurF | / | 0.447 | |
| 1pr5 | TBN | Purine nucleoside phosphorylase DeoD-type | / | 0.446 | |
| 4j7g | TRH | PCZA361.3 | / | 0.446 | |
| 4nie | NBH | Nuclear receptor ROR-gamma | / | 0.446 | |
| 2wsa | 646 | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.445 | |
| 4n82 | FMN | Ribonucleotide reductase (NrdI family protein), putative | / | 0.445 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.444 | |
| 3sju | NDP | Keto reductase | / | 0.444 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4tti | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.441 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.440 |