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 |
|---|---|---|---|
| 4dn5 | AGS | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dn5 | AGS | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 1.000 | |
| 4idt | T28 | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.549 | |
| 2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.531 | |
| 1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.524 | |
| 5dt3 | ATP | Aurora kinase A | 2.7.11.1 | 0.523 | |
| 5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.510 | |
| 4utd | ACP | Aurora kinase A | 2.7.11.1 | 0.507 | |
| 4k33 | ACP | Fibroblast growth factor receptor 3 | 2.7.10.1 | 0.506 | |
| 4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.506 | |
| 3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.499 | |
| 3ttj | JBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.492 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.490 | |
| 4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.490 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.488 | |
| 4fl3 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.488 | |
| 3zly | YSO | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.487 | |
| 3oro | AGS | Serine/threonine protein kinase | / | 0.486 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.485 | |
| 3ori | AGS | Serine/threonine protein kinase | / | 0.484 | |
| 3gub | GUB | Death-associated protein kinase 1 | 2.7.11.1 | 0.483 | |
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.482 | |
| 4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.482 | |
| 3orm | AGS | Serine/threonine protein kinase | / | 0.481 | |
| 5dnr | ATP | Aurora kinase A | 2.7.11.1 | 0.481 | |
| 1ol7 | ADP | Aurora kinase A | 2.7.11.1 | 0.480 | |
| 3a60 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.480 | |
| 3i60 | E86 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.480 | |
| 3zm4 | 22T | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.480 | |
| 4zse | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.480 | |
| 4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.478 | |
| 4qpm | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.478 | |
| 4w9w | YDJ | BMP-2-inducible protein kinase | 2.7.11.1 | 0.478 | |
| 3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 | 0.477 | |
| 1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.476 | |
| 4idv | 13V | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.476 | |
| 5dn3 | ATP | Aurora kinase A | 2.7.11.1 | 0.475 | |
| 1ol5 | ADP | Aurora kinase A | 2.7.11.1 | 0.474 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.474 | |
| 3w18 | N13 | Aurora kinase A | 2.7.11.1 | 0.473 | |
| 2uzl | C94 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.472 | |
| 3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.472 | |
| 3k5u | PFQ | Aurora kinase A | 2.7.11.1 | 0.471 | |
| 4jbp | YPH | Aurora kinase A | 2.7.11.1 | 0.470 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.470 | |
| 5auu | LU2 | Death-associated protein kinase 1 | 2.7.11.1 | 0.470 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.469 | |
| 3gu5 | ANP | Death-associated protein kinase 1 | 2.7.11.1 | 0.469 | |
| 4aw1 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.469 | |
| 4gih | 0X5 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.469 | |
| 5dt4 | ATP | Aurora kinase A | 2.7.11.1 | 0.469 | |
| 4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.468 | |
| 1mq4 | ADP | Aurora kinase A | 2.7.11.1 | 0.467 | |
| 2c6t | DT5 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.467 | |
| 1pkg | ADP | Mast/stem cell growth factor receptor Kit | 2.7.10.1 | 0.466 | |
| 3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.465 | |
| 3zlx | 5EZ | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.465 | |
| 1oi9 | N20 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.464 | |
| 3hmm | 855 | TGF-beta receptor type-1 | 2.7.11.30 | 0.464 | |
| 1ha3 | MAU | Elongation factor Tu-A | / | 0.463 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
| 5awm | ANP | Stress-activated protein kinase JNK | 2.7.11.24 | 0.463 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.462 | |
| 4e4m | 0NH | Tyrosine-protein kinase JAK2 | / | 0.462 | |
| 4ftk | H9K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.462 | |
| 1ol6 | ATP | Aurora kinase A | 2.7.11.1 | 0.461 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.461 | |
| 4r8q | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.461 | |
| 1gih | 1PU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
| 2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.460 | |
| 2xne | ASH | Aurora kinase A | 2.7.11.1 | 0.460 | |
| 3le6 | 2BZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
| 4jr7 | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.460 | |
| 1ir3 | ANP | Insulin receptor | 2.7.10.1 | 0.459 | |
| 2w7x | D1A | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.459 | |
| 4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.459 | |
| 1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.458 | |
| 2x1n | X1N | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 4fg9 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.457 | |
| 4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.457 | |
| 4qny | ANP | Mitogen activated protein kinase, putative | / | 0.457 | |
| 5dos | ATP | Aurora kinase A | 2.7.11.1 | 0.457 | |
| 2b9i | ADP | Mitogen-activated protein kinase FUS3 | 2.7.11.24 | 0.456 | |
| 2xk9 | XK9 | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.456 | |
| 3c50 | ADP | Rhodopsin kinase | / | 0.456 | |
| 4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
| 4gvj | ADP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.456 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.456 | |
| 2cdz | 23D | Serine/threonine-protein kinase PAK 4 | 2.7.11.1 | 0.455 | |
| 2o65 | MYF | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.455 | |
| 1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.454 | |
| 3uli | 1N3 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
| 4o0u | ADN | Aurora kinase A | 2.7.11.1 | 0.454 | |
| 5cvc | PLP | Serine racemase | / | 0.454 | |
| 4jbq | VX6 | Aurora kinase A | 2.7.11.1 | 0.453 | |
| 1rw8 | 580 | TGF-beta receptor type-1 | 2.7.11.30 | 0.452 | |
| 2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.452 | |
| 5dr2 | ATP | Aurora kinase A | 2.7.11.1 | 0.452 | |
| 5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.452 | |
| 2xik | J60 | Serine/threonine-protein kinase 25 | 2.7.11.1 | 0.451 | |
| 3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.451 | |
| 4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.451 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.451 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1j1b | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.450 | |
| 3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.450 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.450 | |
| 4gfo | 0X2 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.450 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 2h96 | 893 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.449 | |
| 2iw8 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 4a06 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.449 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.449 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.449 | |
| 1oiy | N41 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 2yir | YIR | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.448 | |
| 4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.448 | |
| 4ceg | ADP | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 4oae | CLM | Uncharacterized protein | / | 0.448 | |
| 1lp4 | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.447 | |
| 2vxo | XMP | GMP synthase [glutamine-hydrolyzing] | 6.3.5.2 | 0.447 | |
| 2zdt | 46C | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.447 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.447 | |
| 4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.447 | |
| 4qmp | DKI | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.447 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.447 | |
| 1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 1q8y | ADP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.446 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.446 | |
| 3gu6 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.446 | |
| 3r9d | X6B | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3wi6 | YRZ | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.446 | |
| 4bie | IE6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.446 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.446 | |
| 4mwh | ATP | Casein kinase II subunit alpha | 2.7.11.1 | 0.446 | |
| 1pmv | 537 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.445 | |
| 1vjy | 460 | TGF-beta receptor type-1 | 2.7.11.30 | 0.445 | |
| 2itz | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 2ivv | PP1 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.445 | |
| 2wmu | ZYU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 3hdm | MMG | Serine/threonine-protein kinase Sgk1 | 2.7.11.1 | 0.445 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.445 | |
| 4hvg | 19Q | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.445 | |
| 4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.445 | |
| 1s60 | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.444 | |
| 2e9o | A58 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 2ycs | NXP | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.444 | |
| 3lj3 | WYE | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 3rk5 | 07Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 3vw6 | IM6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.444 | |
| 4iwq | 1FV | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.444 | |
| 1u54 | ACP | Activated CDC42 kinase 1 | / | 0.443 | |
| 2acx | ANP | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.443 | |
| 2e9v | 85A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 4fv7 | E94 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.443 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 3ckx | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.442 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.442 | |
| 3w2c | N15 | Aurora kinase A | 2.7.11.1 | 0.442 | |
| 4gii | 0X6 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.442 | |
| 4krc | AGS | Cyclin-dependent protein kinase PHO85 | 2.7.11.22 | 0.442 | |
| 2vz6 | FEF | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2.7.11.17 | 0.441 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3uoz | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.441 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 4ft7 | H3K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.440 |