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 |
|---|---|---|---|
| 4e1z | 0MX | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4e1z | 0MX | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 1.000 | |
| 4e20 | 0MY | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.696 | |
| 2b7a | IZA | Tyrosine-protein kinase JAK2 | / | 0.539 | |
| 4ivc | 1J6 | Tyrosine-protein kinase JAK1 | / | 0.523 | |
| 4k77 | 1Q4 | Tyrosine-protein kinase JAK1 | / | 0.523 | |
| 5dt0 | SKE | Aurora kinase A | 2.7.11.1 | 0.522 | |
| 5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.505 | |
| 4k6z | 1Q3 | Tyrosine-protein kinase JAK1 | / | 0.500 | |
| 4gj2 | 0XH | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.495 | |
| 4e4l | 0NH | Tyrosine-protein kinase JAK1 | / | 0.494 | |
| 4ei4 | 0Q2 | Tyrosine-protein kinase JAK1 | / | 0.494 | |
| 4ivb | 1J5 | Tyrosine-protein kinase JAK1 | / | 0.491 | |
| 2ydi | YDI | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.488 | |
| 1rek | B8L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.487 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.486 | |
| 3sc1 | 3S1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.485 | |
| 4fx3 | 60K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.485 | |
| 4o0s | ADN | Aurora kinase A | 2.7.11.1 | 0.485 | |
| 4ivd | 15T | Tyrosine-protein kinase JAK1 | / | 0.484 | |
| 4qmp | DKI | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.484 | |
| 3eyh | IZA | Tyrosine-protein kinase JAK1 | / | 0.482 | |
| 5dpv | SKE | Aurora kinase A | 2.7.11.1 | 0.478 | |
| 5dr9 | SKE | Aurora kinase A | 2.7.11.1 | 0.478 | |
| 2e9o | A58 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.476 | |
| 2xik | J60 | Serine/threonine-protein kinase 25 | 2.7.11.1 | 0.474 | |
| 3zm4 | 22T | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.474 | |
| 4qmy | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.474 | |
| 3rk9 | 09Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.473 | |
| 4gii | 0X6 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.473 | |
| 4hge | 15V | Tyrosine-protein kinase JAK2 | / | 0.472 | |
| 3v8t | 477 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.471 | |
| 4gj3 | 0XP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.471 | |
| 2dcn | ADP | 2-keto-3-deoxy-gluconate kinase | / | 0.470 | |
| 4e4m | 0NH | Tyrosine-protein kinase JAK2 | / | 0.470 | |
| 1e1x | NW1 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.469 | |
| 2jko | BIJ | Focal adhesion kinase 1 | 2.7.10.2 | 0.469 | |
| 3qcs | 3Q1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.469 | |
| 3qqk | X02 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.469 | |
| 2x6d | X6D | Aurora kinase A | 2.7.11.1 | 0.468 | |
| 3iok | 1P6 | Tyrosine-protein kinase JAK2 | / | 0.468 | |
| 3rvg | 17P | Tyrosine-protein kinase JAK2 | / | 0.468 | |
| 2phk | ATP | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2.7.11.19 | 0.467 | |
| 3amb | VX6 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.467 | |
| 3r6x | X84 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.467 | |
| 3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.467 | |
| 3zmm | F9J | Tyrosine-protein kinase JAK2 | / | 0.467 | |
| 4ftr | 5HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.467 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.466 | |
| 3qd4 | 3Q6 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.466 | |
| 4wh3 | ATP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.466 | |
| 3p7n | FMN | Light-activated DNA-binding protein EL222 | / | 0.465 | |
| 4e5w | 0NT | Tyrosine-protein kinase JAK1 | / | 0.465 | |
| 1pxm | CK5 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.464 | |
| 2pe0 | 39Z | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.464 | |
| 3ggf | GVD | Serine/threonine-protein kinase 26 | / | 0.464 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
| 1p2a | 5BN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
| 2i40 | BLZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
| 4gfo | 0X2 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.463 | |
| 2bkz | SBC | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.462 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.462 | |
| 2w1e | L0E | Aurora kinase A | 2.7.11.1 | 0.462 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.462 | |
| 4eon | 1RO | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.462 | |
| 4fkg | 4CK | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.462 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.462 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.462 | |
| 1urw | I1P | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 3lxp | IZA | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.461 | |
| 4acm | 7YG | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 4bgh | 3I6 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 1m2r | MNY | Casein kinase II subunit alpha | 2.7.11.1 | 0.460 | |
| 2d8a | NAD | L-threonine 3-dehydrogenase | / | 0.460 | |
| 2jkq | VG8 | Focal adhesion kinase 1 | 2.7.10.2 | 0.460 | |
| 3ral | 04Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
| 4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.460 | |
| 3qcq | 3Q0 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.459 | |
| 4aw1 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.458 | |
| 4o0w | ADN | Aurora kinase A | 2.7.11.1 | 0.458 | |
| 3s0o | 50Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.457 | |
| 4ez3 | 0S0 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 4idt | T28 | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.457 | |
| 1z5m | LI8 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.456 | |
| 2btr | U73 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.456 | |
| 3qqh | X0A | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 4c3r | ACP | Aurora kinase A | 2.7.11.1 | 0.456 | |
| 4fkp | LS5 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 4fkv | 61K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.455 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.455 | |
| 3nuu | JOZ | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.455 | |
| 3qd3 | 3Q5 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.455 | |
| 3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
| 4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.455 | |
| 4mf1 | 29Y | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.455 | |
| 4qmt | H1N | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.455 | |
| 3ama | SKE | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.454 | |
| 3cgo | JNO | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.454 | |
| 3v8w | 0G2 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.454 | |
| 4ftu | 7HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.454 | |
| 4u9a | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.454 | |
| 2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.453 | |
| 3qd0 | 3Q4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.453 | |
| 3sw4 | 18K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
| 4aqc | 88A | Tyrosine-protein kinase JAK2 | / | 0.453 | |
| 4fsz | HK8 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 1oir | HDY | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
| 1qp8 | NDP | 2-hydroxyacid dehydrogenase | / | 0.452 | |
| 2w06 | FRV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.452 | |
| 3hrc | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.452 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.452 | |
| 4cki | ADN | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.452 | |
| 4eom | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
| 4fsw | HK6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.452 | |
| 2xb7 | GUI | ALK tyrosine kinase receptor | 2.7.10.1 | 0.451 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 5j23 | A2R | Putative 2-hydroxyacid dehydrogenase | / | 0.451 | |
| 2o12 | FMN | Chorismate synthase | / | 0.450 | |
| 2pe1 | 517 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.450 | |
| 3qu0 | X40 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 3rai | X85 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 3rpv | 26Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 2izs | BRQ | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.449 | |
| 3bht | MFR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3pj8 | 404 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3roy | 22Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3she | I85 | MAP kinase-activated protein kinase 3 | 2.7.11.1 | 0.449 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 3w32 | W32 | Epidermal growth factor receptor | 2.7.10.1 | 0.449 | |
| 4jr7 | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.449 | |
| 4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.449 | |
| 1ckp | PVB | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 1h1r | 6CP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 2brm | DFZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 2iw8 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 2x2m | X2M | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.448 | |
| 3hdm | MMG | Serine/threonine-protein kinase Sgk1 | 2.7.11.1 | 0.448 | |
| 3qcy | 3Q3 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.448 | |
| 3qtr | X36 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 3w33 | W19 | Epidermal growth factor receptor | 2.7.10.1 | 0.448 | |
| 4gh2 | HK0 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 5dr6 | SKE | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 1dm2 | HMD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 1q97 | ATP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.447 | |
| 2r3l | SCW | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 2wou | ZZF | TGF-beta receptor type-1 | 2.7.11.30 | 0.447 | |
| 2wxv | WXV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 2yfe | YFE | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 3a62 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.447 | |
| 3lxk | MI1 | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.447 | |
| 4lb2 | DM5 | Serum albumin | / | 0.447 | |
| 2e9u | A25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 2jkk | BI9 | Focal adhesion kinase 1 | 2.7.10.2 | 0.446 | |
| 3el9 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3pxk | PXK | Focal adhesion kinase 1 | 2.7.10.2 | 0.446 | |
| 3rmf | 20Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3t8o | ATP | Rhodopsin kinase | / | 0.446 | |
| 5dn3 | ATP | Aurora kinase A | 2.7.11.1 | 0.446 | |
| 1uu9 | BI3 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.445 | |
| 2np8 | CC3 | Aurora kinase A | 2.7.11.1 | 0.445 | |
| 3ckx | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.445 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.445 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.445 | |
| 5dos | ATP | Aurora kinase A | 2.7.11.1 | 0.445 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 2rc3 | NAD | CBS domain | / | 0.444 | |
| 4f08 | 1RS | Tyrosine-protein kinase JAK2 | / | 0.444 | |
| 4fkw | 62K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 5dt3 | ATP | Aurora kinase A | 2.7.11.1 | 0.444 | |
| 1om1 | IQA | Casein kinase II subunit alpha | 2.7.11.1 | 0.443 | |
| 2cgv | 3B3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 3zlx | 5EZ | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.443 | |
| 4ysw | FAD | Xanthine dehydrogenase/oxidase | / | 0.443 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.442 | |
| 1vjy | 460 | TGF-beta receptor type-1 | 2.7.11.30 | 0.442 | |
| 2w17 | I19 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 2w1d | L0D | Aurora kinase A | 2.7.11.1 | 0.442 | |
| 2w6q | OA5 | Biotin carboxylase | 6.3.4.14 | 0.442 | |
| 3at3 | ATK | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.442 | |
| 3rm7 | 19Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 4cta | ATP | CinA-like protein | / | 0.442 | |
| 4ek6 | 10K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.442 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.441 | |
| 2w1f | L0F | Aurora kinase A | 2.7.11.1 | 0.441 | |
| 2w1h | L0F | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 4anm | WUL | Casein kinase II subunit alpha | 2.7.11.1 | 0.441 | |
| 4bwx | AGS | PAB-dependent poly(A)-specific ribonuclease subunit pan3 | / | 0.441 | |
| 5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.441 | |
| 1gih | 1PU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 1ogu | ST8 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 1xjd | STU | Protein kinase C theta type | 2.7.11.13 | 0.440 | |
| 2c6t | DT5 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 2p4y | C03 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3dog | NNN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3inm | NDP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.440 | |
| 3qwj | X6A | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3qzg | X67 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3v5l | 0G1 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.440 | |
| 4bbf | O19 | Tyrosine-protein kinase JAK2 | / | 0.440 | |
| 4c62 | XWW | Tyrosine-protein kinase JAK2 | / | 0.440 | |
| 4g6h | NAI | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.440 | |
| 4gih | 0X5 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.440 | |
| 5e8y | STU | TGF-beta receptor type-2 | 2.7.11.30 | 0.440 |