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 |
|---|---|---|---|
| 4fvq | ATP | Tyrosine-protein kinase JAK2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4fvq | ATP | Tyrosine-protein kinase JAK2 | / | 1.000 | |
| 5i4n | ATP | Tyrosine-protein kinase JAK2 | / | 0.558 | |
| 4fvr | ATP | Tyrosine-protein kinase JAK2 | / | 0.539 | |
| 4lrj | ANP | Uncharacterized protein | / | 0.490 | |
| 4oa9 | ANP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.482 | |
| 2qo7 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.467 | |
| 1qcf | PP1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.463 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.462 | |
| 4pl4 | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.462 | |
| 3r1y | X76 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 2hen | ADP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.459 | |
| 1t0l | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.457 | |
| 2qoq | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.457 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.455 | |
| 1i44 | ACP | Insulin receptor | 2.7.10.1 | 0.454 | |
| 1daw | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.453 | |
| 1q8y | ADP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.453 | |
| 4o1p | ANP | Ribonuclease L | / | 0.453 | |
| 2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.452 | |
| 3vs5 | VSG | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.452 | |
| 2qw0 | 34Z | 4-chlorobenzoyl CoA ligase | / | 0.451 | |
| 4e6q | 0NV | Tyrosine-protein kinase JAK2 | / | 0.451 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.451 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
| 2d1c | NAP | Isocitrate dehydrogenase [NADP] | 1.1.1.42 | 0.450 | |
| 5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.450 | |
| 3c1y | 2BA | DNA integrity scanning protein DisA | / | 0.449 | |
| 3q4z | ANP | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.448 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
| 1q97 | ATP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.447 | |
| 1qmz | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 4aqc | 88A | Tyrosine-protein kinase JAK2 | / | 0.447 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.446 | |
| 3zly | YSO | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.446 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 4hge | 15V | Tyrosine-protein kinase JAK2 | / | 0.446 | |
| 4yp1 | 2BA | Stimulator of interferon genes protein | / | 0.446 | |
| 1vfr | FMN | Major NAD(P)H-flavin oxidoreductase | 1.6.99 | 0.445 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 1a5u | ATP | Pyruvate kinase PKM | 2.7.1.40 | 0.442 | |
| 1oon | FMN | Oxygen-insensitive NAD(P)H nitroreductase | / | 0.442 | |
| 2xy3 | DUP | SPBc2 prophage-derived deoxyuridine 5'-triphosphate nucleotidohydrolase YosS | 3.6.1.23 | 0.442 | |
| 3e8n | VRA | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.442 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.442 | |
| 4kgm | ATP | Uncharacterized protein | / | 0.442 | |
| 1f28 | UMP | Thymidylate synthase | 2.1.1.45 | 0.441 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 3hko | ANP | Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands | / | 0.441 | |
| 3lpb | NVB | Tyrosine-protein kinase JAK2 | / | 0.441 | |
| 4zse | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.441 | |
| 2hck | QUE | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.440 | |
| 2qoc | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.440 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.440 | |
| 5c03 | AGS | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.440 | |
| 5cvc | PLP | Serine racemase | / | 0.440 |