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 |
|---|---|---|---|
| 1t3z | CAO | Formyl-CoA:oxalate CoA-transferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1t3z | CAO | Formyl-CoA:oxalate CoA-transferase | / | 1.000 | |
| 1vgq | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.678 | |
| 1p5r | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.592 | |
| 2vjm | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.588 | |
| 1t4c | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.559 | |
| 1vgr | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.481 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.479 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.477 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.461 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.460 | |
| 4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.459 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.458 | |
| 3b1d | PLS | BetaC-S lyase | / | 0.456 | |
| 1cnf | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 0.450 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.450 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.450 | |
| 2e20 | B4P | Propionate kinase | / | 0.449 | |
| 3sfy | 3FY | Uncharacterized protein | / | 0.449 | |
| 2wp9 | CBE | Succinate dehydrogenase iron-sulfur subunit | 1.3.5.1 | 0.448 | |
| 2wp9 | CBE | Succinate dehydrogenase cytochrome b556 subunit | / | 0.448 | |
| 4nes | UD1 | UDP-N-acetylglucosamine 2-epimerase | 5.1.3.14 | 0.447 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.446 | |
| 3caq | NDP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
| 3phi | NDP | Shikimate dehydrogenase (NADP(+)) | / | 0.446 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.446 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.446 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.445 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.444 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.444 | |
| 5dp2 | NAP | CurF | / | 0.444 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.443 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 1k4m | NAD | Nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 0.442 | |
| 2ffq | GSP | Ras-related protein Rab-6B | / | 0.442 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 3ndj | JHZ | Methyltransferase | / | 0.441 | |
| 3nx2 | FER | Ferulic acid decarboxylase | / | 0.441 | |
| 4bqz | GNP | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.441 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.440 |