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 |
|---|---|---|---|
| 1cnf | FAD | Nitrate reductase [NADH] | 1.7.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1cnf | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 1.000 | |
| 2cnd | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 0.611 | |
| 1i7p | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.575 | |
| 1umk | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.554 | |
| 1ndh | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.535 | |
| 2eix | FAD | NADH-cytochrome b5 reductase | / | 0.509 | |
| 1qx4 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.507 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.505 | |
| 1cne | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 0.502 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.475 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.474 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.472 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.471 | |
| 1ib0 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.467 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.466 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.462 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.462 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.461 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.460 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.456 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.456 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.455 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.455 | |
| 5c1d | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.454 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.451 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.451 | |
| 1bil | 0IU | Renin | 3.4.23.15 | 0.450 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.450 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.450 | |
| 2xje | U5P | Cytosolic purine 5'-nucleotidase | 3.1.3.5 | 0.448 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.446 | |
| 4ke1 | 1R6 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.443 | |
| 3buv | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.442 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.442 | |
| 1ra8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.441 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.441 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 2r2n | KYN | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.440 | |
| 3lqs | PSZ | D-alanine aminotransferase | 2.6.1.21 | 0.440 |