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 |
|---|---|---|---|
| 1jue | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1jue | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 1.000 | |
| 1dor | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.651 | |
| 2bsl | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.623 | |
| 2djx | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.590 | |
| 4ef9 | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.584 | |
| 3c3n | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.582 | |
| 1jub | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.578 | |
| 2djl | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.566 | |
| 3gye | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.555 | |
| 3oix | FMN | Dihydroorotate dehydrogenase | / | 0.493 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.476 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.476 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.468 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.466 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.465 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.464 | |
| 4e2d | FMN | Dehydrogenase | / | 0.459 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.457 | |
| 4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.457 | |
| 5jsc | FAD | Putative acyl-CoA dehydrogenase | / | 0.456 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.455 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.455 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.454 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 4ef8 | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.453 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.451 | |
| 4wso | NAD | Probable nicotinate-nucleotide adenylyltransferase | / | 0.451 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.450 | |
| 4fqs | LYA | Thymidylate synthase ThyA | / | 0.449 | |
| 2cv2 | GSU | Glutamate--tRNA ligase | 6.1.1.17 | 0.448 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.447 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.446 | |
| 3f63 | GTX | Glutathione transferase GST1-4 | / | 0.446 | |
| 1udy | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.444 | |
| 1vfr | FMN | Major NAD(P)H-flavin oxidoreductase | 1.6.99 | 0.443 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.443 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.442 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.442 | |
| 2ejz | SAH | Diphthine synthase | / | 0.442 | |
| 1dyh | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.441 | |
| 1zp4 | FAD | 5,10-methylenetetrahydrofolate reductase | 1.5.1.20 | 0.441 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.441 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.441 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 3bk2 | U5P | Ribonuclease J | / | 0.440 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4nes | UD1 | UDP-N-acetylglucosamine 2-epimerase | 5.1.3.14 | 0.440 |