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 |
---|---|---|---|
3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 | 1.000 | |
3hmm | 855 | TGF-beta receptor type-1 | 2.7.11.30 | 0.715 | |
1vjy | 460 | TGF-beta receptor type-1 | 2.7.11.30 | 0.652 | |
5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.592 | |
2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.559 | |
1rw8 | 580 | TGF-beta receptor type-1 | 2.7.11.30 | 0.541 | |
3mtf | A3F | Activin receptor type-1 | 2.7.11.30 | 0.513 | |
5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.512 | |
4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.506 | |
4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.504 | |
4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.497 | |
4qmp | DKI | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.495 | |
4qmz | B49 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.495 | |
1eh4 | IC1 | Casein kinase I homolog 1 | 2.7.11.1 | 0.493 | |
1byg | STU | Tyrosine-protein kinase CSK | / | 0.491 | |
3gub | GUB | Death-associated protein kinase 1 | 2.7.11.1 | 0.491 | |
5e8y | STU | TGF-beta receptor type-2 | 2.7.11.30 | 0.491 | |
4anm | WUL | Casein kinase II subunit alpha | 2.7.11.1 | 0.489 | |
4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.489 | |
3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.488 | |
5e8x | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.488 | |
2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.487 | |
2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.483 | |
2x2k | X2K | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.482 | |
3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.482 | |
2wou | ZZF | TGF-beta receptor type-1 | 2.7.11.30 | 0.481 | |
3be9 | P04 | Casein kinase II subunit alpha | 2.7.11.1 | 0.481 | |
3rak | 03Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.479 | |
4aqc | 88A | Tyrosine-protein kinase JAK2 | / | 0.479 | |
2h8h | H8H | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.478 | |
4bid | IE8 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.476 | |
2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.475 | |
1u54 | ACP | Activated CDC42 kinase 1 | / | 0.474 | |
4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.474 | |
4gih | 0X5 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.473 | |
3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.472 | |
4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.472 | |
1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.471 | |
1py5 | PY1 | TGF-beta receptor type-1 | 2.7.11.30 | 0.470 | |
3qtx | X43 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.470 | |
4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.470 | |
4bie | IE6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.470 | |
4e4m | 0NH | Tyrosine-protein kinase JAK2 | / | 0.470 | |
4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.470 | |
4qml | ANP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.470 | |
1qcf | PP1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.469 | |
3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.469 | |
3ttj | JBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.469 | |
4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.469 | |
3qu0 | X40 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.468 | |
3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.468 | |
4jia | 1K3 | Tyrosine-protein kinase JAK2 | / | 0.468 | |
2vtj | LZ4 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.467 | |
4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.466 | |
4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.466 | |
1m2p | HNA | Casein kinase II subunit alpha | 2.7.11.1 | 0.465 | |
1om1 | IQA | Casein kinase II subunit alpha | 2.7.11.1 | 0.465 | |
3uyt | 0CK | Casein kinase I isoform delta | 2.7.11.1 | 0.465 | |
3uzp | 0CK | Casein kinase I isoform delta | 2.7.11.1 | 0.465 | |
4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.465 | |
4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.465 | |
4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.465 | |
4j97 | ACP | Fibroblast growth factor receptor 2 | / | 0.465 | |
2x9f | X9F | Ephrin type-B receptor 4 | 2.7.10.1 | 0.464 | |
3rkb | 12Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.464 | |
4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.464 | |
4ux9 | ANP | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.464 | |
1y91 | CT9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
3s1h | 56Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
4cki | ADN | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.463 | |
4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.463 | |
4hnf | 16W | Casein kinase I isoform delta | 2.7.11.1 | 0.463 | |
4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.463 | |
2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.462 | |
2x1n | X1N | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.462 | |
3iok | 1P6 | Tyrosine-protein kinase JAK2 | / | 0.462 | |
3sw4 | 18K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.462 | |
1g5s | I17 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.461 | |
3rmf | 20Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.461 | |
4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.461 | |
1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.460 | |
2in6 | 839 | Wee1-like protein kinase | 2.7.10.2 | 0.460 | |
2w05 | FRT | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
3vw6 | IM6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.460 | |
3zew | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.460 | |
4fkr | 45K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
4iwd | 1JC | Hepatocyte growth factor receptor | 2.7.10.1 | 0.460 | |
4iwo | 1H4 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.460 | |
4hvi | 19S | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.459 | |
4u9a | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.459 | |
1oir | HDY | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
4fkv | 61K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
4iwq | 1FV | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.458 | |
4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.458 | |
2pvh | P19 | Casein kinase II subunit alpha | 2.7.11.1 | 0.457 | |
3tti | KBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.457 | |
3r9o | Z71 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
1di8 | DTQ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
1m2q | MNX | Casein kinase II subunit alpha | 2.7.11.1 | 0.455 | |
1qpd | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.455 | |
1xjd | STU | Protein kinase C theta type | 2.7.11.13 | 0.455 | |
2exc | JNK | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.455 | |
3i60 | E86 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.455 | |
3kvx | FMY | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.455 | |
3ofm | 4B0 | Casein kinase II subunit alpha' | 2.7.11.1 | 0.455 | |
3prf | FP3 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.455 | |
3zc6 | VFC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.455 | |
4c61 | LMM | Tyrosine-protein kinase JAK2 | / | 0.455 | |
1gii | 1PU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
1w0x | OLO | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.454 | |
2w06 | FRV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
3qtz | X42 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
3zm4 | 22T | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.454 | |
4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.454 | |
4qmt | H1N | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.454 | |
5bvw | 1N1 | Epithelial discoidin domain-containing receptor 1 | 2.7.10.1 | 0.454 | |
5dr9 | SKE | Aurora kinase A | 2.7.11.1 | 0.454 | |
1fvv | 107 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
2iw8 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.453 | |
3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.453 | |
3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.453 | |
4fko | 20K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.453 | |
5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.453 | |
1h1s | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
1oit | HDT | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
2w17 | I19 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
4gj3 | 0XP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.452 | |
5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.452 | |
3a7j | ADP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.451 | |
3elj | GS7 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.451 | |
3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.451 | |
3rk7 | 08Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
4acm | 7YG | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
2clq | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.450 | |
3ddq | RRC | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
3ggf | GVD | Serine/threonine-protein kinase 26 | / | 0.450 | |
3she | I85 | MAP kinase-activated protein kinase 3 | 2.7.11.1 | 0.450 | |
4btj | ATP | Tau-tubulin kinase 1 | 2.7.11.1 | 0.450 | |
4eor | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
4gvj | ADP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.450 | |
1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
1daw | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.449 | |
1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.449 | |
2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.449 | |
3r04 | UNQ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
4hge | 15V | Tyrosine-protein kinase JAK2 | / | 0.449 | |
4k33 | ACP | Fibroblast growth factor receptor 3 | 2.7.10.1 | 0.449 | |
1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.448 | |
2ivu | ZD6 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.448 | |
3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.448 | |
3rni | 21Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
4jaj | XU1 | Aurora kinase A | 2.7.11.1 | 0.448 | |
4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.448 | |
1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
2b7a | IZA | Tyrosine-protein kinase JAK2 | / | 0.447 | |
2xik | J60 | Serine/threonine-protein kinase 25 | 2.7.11.1 | 0.447 | |
3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.447 | |
4fkw | 62K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
5dmz | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.447 | |
2x2l | X2L | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.446 | |
3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.446 | |
3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.446 | |
4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.446 | |
4fkg | 4CK | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.446 | |
5dr6 | SKE | Aurora kinase A | 2.7.11.1 | 0.446 | |
1ke5 | LS1 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.445 | |
2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.445 | |
3zps | EQM | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
4kbk | 1QG | Casein kinase I isoform delta | 2.7.11.1 | 0.445 | |
2o0u | C0M | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.444 | |
3hx4 | ANP | Calmodulin-domain protein kinase 1 | / | 0.444 | |
4aw1 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
4awi | AQ2 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.444 | |
4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.444 | |
1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.443 | |
2vz6 | FEF | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2.7.11.17 | 0.443 | |
5amn | DTQ | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.443 | |
5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.443 | |
1urw | I1P | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.442 | |
2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
2zdt | 46C | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.442 | |
3cy2 | MB9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.442 | |
3il1 | B5D | Glutamate receptor 2 | / | 0.442 | |
3vs3 | VSE | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.442 | |
4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
4dn5 | AGS | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.442 | |
4gii | 0X6 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.442 | |
1nvr | STU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
2b1p | AIZ | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.441 | |
2bts | U32 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.441 | |
4dgm | AGI | Casein kinase II subunit alpha | 2.7.11.1 | 0.441 | |
4gk4 | L90 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
4hgt | 15G | Casein kinase I isoform delta | 2.7.11.1 | 0.441 | |
4o0r | X4Z | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.441 | |
1oiu | N76 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
2b53 | D23 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
2i0y | 5CN | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.440 | |
2vtt | LZD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.440 | |
3qlg | 1N1 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.440 | |
3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
4f08 | 1RS | Tyrosine-protein kinase JAK2 | / | 0.440 | |
4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.440 |