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 |
|---|---|---|---|
| 1jub | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1jub | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 1.000 | |
| 1dor | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.815 | |
| 2bsl | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.709 | |
| 1jue | FMN | Dihydroorotate dehydrogenase A (fumarate) | 1.3.98.1 | 0.635 | |
| 3c3n | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.534 | |
| 3gye | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.519 | |
| 2djx | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.518 | |
| 4ef9 | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.507 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.498 | |
| 4rvn | COA | Phenylacetate-coenzyme A ligase | / | 0.498 | |
| 2djl | FMN | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.491 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.475 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.472 | |
| 3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.466 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.461 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.461 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.459 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.457 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.456 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.455 | |
| 2a1t | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.454 | |
| 2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.453 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.452 | |
| 2ign | FAD | Pyranose 2-oxidase | / | 0.451 | |
| 4yry | FAD | Glutamate synthase, beta subunit | / | 0.451 | |
| 5dp2 | NAP | CurF | / | 0.451 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.450 | |
| 3ta1 | ADP | Nitrogen regulatory protein P-II (GlnB-3) | / | 0.450 | |
| 4w6z | 8ID | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.450 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.449 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.449 | |
| 4m10 | ICD | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.449 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.448 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.448 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.448 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.447 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.447 | |
| 3uoz | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.447 | |
| 1s20 | NAD | 2,3-diketo-L-gulonate reductase | 1.1.1.130 | 0.446 | |
| 3veu | 0GO | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.446 | |
| 1rm5 | NDP | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic | 1.2.1.13 | 0.445 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.445 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.444 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.442 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.442 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.442 | |
| 5cdg | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 3ckq | UPG | Glucosyl-3-phosphoglycerate synthase | 2.4.1.266 | 0.441 | |
| 4d04 | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.441 | |
| 4ktl | 1CQ | Cytochrome P450 | / | 0.441 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.440 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.440 | |
| 4jq3 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.440 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.440 |