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 |
|---|---|---|---|
| 1rw8 | 580 | TGF-beta receptor type-1 | 2.7.11.30 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1rw8 | 580 | TGF-beta receptor type-1 | 2.7.11.30 | 1.000 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.588 | |
| 1vjy | 460 | TGF-beta receptor type-1 | 2.7.11.30 | 0.574 | |
| 3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 | 0.552 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.546 | |
| 4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.543 | |
| 1py5 | PY1 | TGF-beta receptor type-1 | 2.7.11.30 | 0.540 | |
| 3hmm | 855 | TGF-beta receptor type-1 | 2.7.11.30 | 0.535 | |
| 3mtf | A3F | Activin receptor type-1 | 2.7.11.30 | 0.534 | |
| 4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.530 | |
| 5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.522 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.517 | |
| 5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.495 | |
| 3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.492 | |
| 4riy | ADP | Epidermal growth factor receptor | 2.7.10.1 | 0.486 | |
| 1u54 | ACP | Activated CDC42 kinase 1 | / | 0.485 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.477 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.475 | |
| 4gih | 0X5 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.474 | |
| 4lop | SB4 | Mitogen-activated protein kinase 14 | / | 0.473 | |
| 3a60 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.472 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.472 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.470 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.470 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.468 | |
| 2xik | J60 | Serine/threonine-protein kinase 25 | 2.7.11.1 | 0.468 | |
| 3gub | GUB | Death-associated protein kinase 1 | 2.7.11.1 | 0.464 | |
| 4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.464 | |
| 4fks | 46K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
| 4qmp | DKI | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.462 | |
| 5e8x | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.462 | |
| 2bdj | HET | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.461 | |
| 2cgp | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.461 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.461 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.461 | |
| 4zse | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.461 | |
| 4loq | SB4 | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.458 | |
| 3w32 | W32 | Epidermal growth factor receptor | 2.7.10.1 | 0.458 | |
| 4y95 | 746 | Tyrosine-protein kinase | / | 0.457 | |
| 1gih | 1PU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.456 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.456 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.456 | |
| 3ggf | GVD | Serine/threonine-protein kinase 26 | / | 0.456 | |
| 3kga | LX9 | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.456 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.456 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.455 | |
| 3haz | FAD | Bifunctional protein PutA | / | 0.455 | |
| 3vry | B43 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.455 | |
| 4fv5 | EK9 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.455 | |
| 4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.455 | |
| 1i7g | AZ2 | Peroxisome proliferator-activated receptor alpha | / | 0.454 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.454 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.454 | |
| 2xk9 | XK9 | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.453 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.453 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.453 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.453 | |
| 1y0s | 331 | Peroxisome proliferator-activated receptor delta | / | 0.452 | |
| 2nnk | ROC | Protease | / | 0.452 | |
| 3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.452 | |
| 4jq8 | KJ8 | Epidermal growth factor receptor | 2.7.10.1 | 0.451 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 2q5g | 1FA | Peroxisome proliferator-activated receptor delta | / | 0.450 | |
| 3gi6 | D78 | Gag-Pol polyprotein | / | 0.450 | |
| 3zew | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.450 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.450 | |
| 1jld | 0PP | Gag-Pol polyprotein | / | 0.449 | |
| 1knu | YPA | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.449 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.449 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.449 | |
| 4otw | DB8 | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.449 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.448 | |
| 3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.448 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.448 | |
| 3t11 | 3T1 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 4j54 | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.447 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 2b7z | MK1 | Gag-Pol polyprotein | / | 0.447 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.447 | |
| 2ycf | YCF | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.447 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.447 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.447 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.447 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.447 | |
| 4gg7 | 0J8 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.447 | |
| 4gj2 | 0XH | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.447 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.446 | |
| 1t7j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3bxs | DRS | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3em6 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3sp9 | IL2 | Peroxisome proliferator-activated receptor delta | / | 0.446 | |
| 3lix | E17 | Protease | / | 0.445 | |
| 3pwr | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 3sa8 | K83 | Protease | / | 0.445 | |
| 3sab | F78 | Protease | / | 0.445 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.445 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1rl8 | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 2euf | LQQ | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.444 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.444 | |
| 3zpt | M8Y | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 4h3q | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.444 | |
| 4hjo | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.444 | |
| 4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.444 | |
| 2bpy | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2j5x | GSP | ADP-ribosylation factor 6 | / | 0.443 | |
| 2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.443 | |
| 3jvy | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.443 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.443 | |
| 4fr4 | STU | Serine/threonine-protein kinase 32A | 2.7.11.1 | 0.443 | |
| 4gfo | 0X2 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.443 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.443 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.443 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 1ivp | 1ZK | Gag-Pol polyprotein | / | 0.442 | |
| 2c6t | DT5 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 2vv9 | IM9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 3sa4 | F72 | Protease | / | 0.442 | |
| 4j55 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4ye3 | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.441 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2uze | C95 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 2y9q | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.441 | |
| 4kb8 | 1QO | Casein kinase I isoform delta | 2.7.11.1 | 0.441 | |
| 4nxv | GDP | Mitochondrial dynamics protein MID51 | / | 0.441 | |
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.440 | |
| 1sdu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1stc | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 2gtk | 208 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.440 | |
| 2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.440 | |
| 2zva | 1N1 | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.440 | |
| 3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.440 | |
| 3rk7 | 08Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3w33 | W19 | Epidermal growth factor receptor | 2.7.10.1 | 0.440 | |
| 4nxu | ADP | Mitochondrial dynamics protein MID51 | / | 0.440 |