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 |
---|---|---|---|
4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 1.000 | |
1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.629 | |
2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.601 | |
1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.575 | |
1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.554 | |
4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.554 | |
1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.552 | |
3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.552 | |
2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.537 | |
1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.531 | |
1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.507 | |
2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.496 | |
4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.494 | |
4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.487 | |
4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.482 | |
1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.481 | |
2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.466 | |
2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.462 | |
2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.459 | |
2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.456 | |
3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.452 | |
2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.451 | |
1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.450 | |
2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.443 |