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 |
---|---|---|---|
3c0z | SHH | Histone deacetylase 7 | 3.5.1.98 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3c0z | SHH | Histone deacetylase 7 | 3.5.1.98 | 1.000 | |
3znr | NU9 | Histone deacetylase 7 | 3.5.1.98 | 0.507 | |
3c10 | TSN | Histone deacetylase 7 | 3.5.1.98 | 0.502 | |
3zns | NU7 | Histone deacetylase 7 | 3.5.1.98 | 0.491 | |
2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.459 | |
1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.456 | |
1a9c | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.452 | |
1ahg | TYR_PLP | Aspartate aminotransferase | 2.6.1.1 | 0.450 | |
1akc | PPE | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.450 | |
1gg5 | E09 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
1tka | N3T | Transketolase 1 | 2.2.1.1 | 0.447 | |
4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.446 | |
3e6e | DCS | Alanine racemase | / | 0.444 | |
1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.443 | |
1gtr | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.443 | |
1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.442 | |
1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.442 | |
1x2b | STX | Proline iminopeptidase | 3.4.11.5 | 0.442 | |
2xje | U5P | Cytosolic purine 5'-nucleotidase | 3.1.3.5 | 0.442 | |
3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.442 | |
2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.441 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.441 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 |