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 |
---|---|---|---|
3cv7 | C2U | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3cv7 | C2U | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 1.000 | |
3fx4 | FX4 | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 0.585 | |
1az1 | ALR | Aldose reductase | 1.1.1.21 | 0.475 | |
2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.454 | |
3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
2bxo | OPB | Serum albumin | / | 0.442 | |
2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
3hxb | BD5 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.442 | |
1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.441 | |
2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.440 |