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 |
|---|---|---|---|
| 3cqu | CQU | RAC-alpha serine/threonine-protein kinase | 2.7.11.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3cqu | CQU | RAC-alpha serine/threonine-protein kinase | 2.7.11.1 | 1.000 | |
| 3l9n | L9N | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.518 | |
| 2uvy | GVI | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.516 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.511 | |
| 3l9l | L9L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.502 | |
| 2bil | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.498 | |
| 2jdv | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.476 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.470 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.463 | |
| 1stc | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.461 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.459 | |
| 4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.457 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.457 | |
| 4c36 | ZO9 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.456 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.455 | |
| 4y9x | UPG | Glucosyl-3-phosphoglycerate synthase | 2.4.1.266 | 0.455 | |
| 1rt7 | UC4 | Gag-Pol polyprotein | 2.7.7.49 | 0.454 | |
| 2uw0 | GVK | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.454 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.454 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.454 | |
| 3cqw | CQW | RAC-alpha serine/threonine-protein kinase | 2.7.11.1 | 0.453 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.453 | |
| 2i9p | NAD | 3-hydroxyisobutyrate dehydrogenase, mitochondrial | 1.1.1.31 | 0.452 | |
| 2j4z | 626 | Aurora kinase A | 2.7.11.1 | 0.452 | |
| 3glm | COO | Glutaconyl-CoA decarboxylase alpha subunit | / | 0.452 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.451 | |
| 4hfr | 14M | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.451 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.451 | |
| 2j2i | LY4 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.450 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.449 | |
| 4o71 | CPB | Bromodomain-containing protein 4 | / | 0.449 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.447 | |
| 3dtc | VIN | Mitogen-activated protein kinase kinase kinase 9 | 2.7.11.25 | 0.447 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.447 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.447 | |
| 2a4z | BYM | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 2p1v | 5TN | Retinoic acid receptor RXR-alpha | / | 0.444 | |
| 3ar6 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.444 | |
| 4y6n | UPG | Glucosyl-3-phosphoglycerate synthase | 2.4.1.266 | 0.444 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 2i4t | UA2 | Purine nucleoside phosphorylase, putative | / | 0.443 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.443 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 4nbb | 9CA | Terminal oxygenase component of carbazole | / | 0.443 | |
| 4pd6 | URI | Nucleoside permease | / | 0.443 | |
| 3uix | Q17 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.442 | |
| 4ifv | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.442 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.442 | |
| 5d7q | 4I5 | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.442 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.441 | |
| 2q4w | FAD | Cytokinin dehydrogenase 7 | 1.5.99.12 | 0.441 | |
| 3bgq | VX2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.441 | |
| 3bgp | VX1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.440 | |
| 3bgr | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.440 | |
| 4n3r | 2GU | Tankyrase-1 | 2.4.2.30 | 0.440 |