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 |
|---|---|---|---|
| 3nd6 | ATP | Phosphopantetheine adenylyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nd6 | ATP | Phosphopantetheine adenylyltransferase | / | 1.000 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.477 | |
| 1ics | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.461 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.458 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.452 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.451 | |
| 4twr | NAD | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase | / | 0.451 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 3rba | COD | Phosphopantetheine adenylyltransferase | / | 0.449 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.446 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 2ilv | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.445 | |
| 2a0y | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.443 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.443 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.441 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4wso | NAD | Probable nicotinate-nucleotide adenylyltransferase | / | 0.441 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.440 |