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 |
|---|---|---|---|
| 4pl3 | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4pl3 | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 1.000 | |
| 3p23 | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.536 | |
| 5c03 | AGS | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.503 | |
| 3ori | AGS | Serine/threonine protein kinase | / | 0.500 | |
| 4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.495 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.493 | |
| 3niz | ADP | Cdc2-like CDK2/CDC28 like protein kinase | / | 0.493 | |
| 4fl3 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.491 | |
| 4aot | GW8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.490 | |
| 3k5u | PFQ | Aurora kinase A | 2.7.11.1 | 0.486 | |
| 3c4w | ATP | Rhodopsin kinase | / | 0.484 | |
| 1ny3 | ADP | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.482 | |
| 2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.482 | |
| 4k33 | ACP | Fibroblast growth factor receptor 3 | 2.7.10.1 | 0.481 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.480 | |
| 3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.479 | |
| 3ncg | BK1 | Calmodulin-domain protein kinase 1, putative | / | 0.478 | |
| 3wi6 | YRZ | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.477 | |
| 3c50 | ADP | Rhodopsin kinase | / | 0.475 | |
| 3lmg | ANP | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.474 | |
| 1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.473 | |
| 2ghl | LIB | Mitogen-activated protein kinase 14 | / | 0.473 | |
| 2wqe | ADP | Aurora kinase A | 2.7.11.1 | 0.473 | |
| 2acx | ANP | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.472 | |
| 2z7q | ACP | Ribosomal protein S6 kinase alpha-1 | 2.7.11.1 | 0.471 | |
| 4b0g | VEK | Aurora kinase A | 2.7.11.1 | 0.470 | |
| 1byg | STU | Tyrosine-protein kinase CSK | / | 0.469 | |
| 2w4k | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.469 | |
| 1qcf | PP1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.467 | |
| 2j7t | 274 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.467 | |
| 4kbk | 1QG | Casein kinase I isoform delta | 2.7.11.1 | 0.467 | |
| 2qoc | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.466 | |
| 2zdt | 46C | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.466 | |
| 1csn | ATP | Casein kinase I homolog 1 | 2.7.11.1 | 0.465 | |
| 2c0t | L3G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.465 | |
| 1ir3 | ANP | Insulin receptor | 2.7.10.1 | 0.464 | |
| 1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.464 | |
| 1yvj | 4ST | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.464 | |
| 3a7j | ADP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.464 | |
| 3ac3 | KSH | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.464 | |
| 3tti | KBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.464 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.464 | |
| 4lrj | ANP | Uncharacterized protein | / | 0.464 | |
| 4nk9 | 2K5 | Fibroblast growth factor receptor 1 | / | 0.464 | |
| 3r04 | UNQ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.463 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.463 | |
| 1u54 | ACP | Activated CDC42 kinase 1 | / | 0.461 | |
| 1xr1 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.460 | |
| 2pwl | ACP | Fibroblast growth factor receptor 2 | / | 0.460 | |
| 5cvh | ADP | Casein kinase II subunit alpha | 2.7.11.1 | 0.460 | |
| 1ywr | LI9 | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.459 | |
| 4gfo | 0X2 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.459 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.459 | |
| 4nj3 | 2KD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.459 | |
| 5aaa | VGH | ALK tyrosine kinase receptor | 2.7.10.1 | 0.459 | |
| 1ol7 | ADP | Aurora kinase A | 2.7.11.1 | 0.458 | |
| 2izr | BRK | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.458 | |
| 2uzb | C75 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
| 3dt1 | P40 | Mitogen-activated protein kinase 14 | / | 0.458 | |
| 3igo | ANP | Calmodulin-domain protein kinase 1, putative | / | 0.458 | |
| 3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.458 | |
| 4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.458 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.458 | |
| 1ih8 | APC | NH(3)-dependent NAD(+) synthetase | 6.3.1.5 | 0.457 | |
| 1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.457 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.457 | |
| 3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.457 | |
| 3orm | AGS | Serine/threonine protein kinase | / | 0.457 | |
| 4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.457 | |
| 1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.456 | |
| 2qoq | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.456 | |
| 3nsz | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
| 3q9o | NAD | Cholix toxin | 2.4.2.36 | 0.456 | |
| 3zuy | TCH | Transporter | / | 0.456 | |
| 4y95 | 746 | Tyrosine-protein kinase | / | 0.456 | |
| 5l8l | ADP | Aurora kinase A | 2.7.11.1 | 0.456 | |
| 1ouk | 084 | Mitogen-activated protein kinase 14 | / | 0.455 | |
| 2exc | JNK | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.455 | |
| 2izu | P01 | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.455 | |
| 2vz6 | FEF | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2.7.11.17 | 0.455 | |
| 4fv4 | EK7 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.455 | |
| 4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.455 | |
| 5dt4 | ATP | Aurora kinase A | 2.7.11.1 | 0.455 | |
| 5e8x | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.455 | |
| 1i44 | ACP | Insulin receptor | 2.7.10.1 | 0.454 | |
| 1ol6 | ATP | Aurora kinase A | 2.7.11.1 | 0.454 | |
| 1q8y | ADP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.454 | |
| 3c4x | ATP | Rhodopsin kinase | / | 0.454 | |
| 3fls | FLS | Mitogen-activated protein kinase 14 | / | 0.454 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.454 | |
| 4qpm | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.454 | |
| 4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.454 | |
| 4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.453 | |
| 4jr7 | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.453 | |
| 2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
| 2vwx | 7X4 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.452 | |
| 2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
| 3a7h | ATP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.452 | |
| 5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.452 | |
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.451 | |
| 1u5r | ATP | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.451 | |
| 2vwu | 7X1 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.451 | |
| 3elj | GS7 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.451 | |
| 3otq | MZL | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.451 | |
| 4ewq | MWL | Mitogen-activated protein kinase 14 | / | 0.451 | |
| 4gk2 | L66 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.451 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.451 | |
| 4ic7 | ANP | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.451 | |
| 2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.450 | |
| 2brg | DFY | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2vx0 | 7X7 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.450 | |
| 3cok | ANP | Serine/threonine-protein kinase PLK4 | 2.7.11.21 | 0.450 | |
| 3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.450 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 4fhj | 0TZ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.450 | |
| 5cvc | PLP | Serine racemase | / | 0.450 | |
| 1dkf | BMS | Retinoic acid receptor alpha | / | 0.449 | |
| 1yw2 | PGJ | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 2q6b | HR2 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.34 | 0.449 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.449 | |
| 3w33 | W19 | Epidermal growth factor receptor | 2.7.10.1 | 0.449 | |
| 4dn5 | AGS | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.449 | |
| 4utd | ACP | Aurora kinase A | 2.7.11.1 | 0.449 | |
| 3blq | ATP | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.448 | |
| 3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.448 | |
| 3llt | ANP | Protein serine/threonine kinase-1 | / | 0.448 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.448 | |
| 4zse | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.448 | |
| 5dn3 | ATP | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 5dt3 | ATP | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.447 | |
| 2cch | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 2x2l | X2L | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.447 | |
| 2yx6 | ADP | Uncharacterized protein | / | 0.447 | |
| 3gub | GUB | Death-associated protein kinase 1 | 2.7.11.1 | 0.447 | |
| 3r9h | Z67 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 3tnl | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.447 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.447 | |
| 4c62 | XWW | Tyrosine-protein kinase JAK2 | / | 0.447 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.447 | |
| 5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.447 | |
| 1g67 | TZP | Thiamine-phosphate synthase | / | 0.446 | |
| 3eej | 53R | Uncharacterized protein | / | 0.446 | |
| 3n10 | CMP | Adenylate cyclase 2 | / | 0.446 | |
| 4fl2 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.446 | |
| 1ghe | ACO | Acetyltransferase | 2.3.1 | 0.445 | |
| 1hdg | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.445 | |
| 1qtm | TTP | DNA polymerase I, thermostable | 2.7.7.7 | 0.445 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.445 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.445 | |
| 2izt | 23D | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.445 | |
| 2py3 | ACP | Fibroblast growth factor receptor 2 | / | 0.445 | |
| 3oro | AGS | Serine/threonine protein kinase | / | 0.445 | |
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.445 | |
| 4eh7 | 0OO | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 4f63 | 0S7 | Fibroblast growth factor receptor 1 | / | 0.445 | |
| 4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.445 | |
| 4kb8 | 1QO | Casein kinase I isoform delta | 2.7.11.1 | 0.445 | |
| 4qmz | B49 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.445 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.445 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.444 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 2j0m | 4ST | Focal adhesion kinase 1 | 2.7.10.2 | 0.444 | |
| 2o0u | C0M | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.444 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 | 0.444 | |
| 4fmq | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.444 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 2qo7 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.443 | |
| 2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.443 | |
| 2yn8 | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.443 | |
| 3d7k | D7K | Benzaldehyde lyase | / | 0.443 | |
| 3fi3 | JK2 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.443 | |
| 3lct | ADP | ALK tyrosine kinase receptor | 2.7.10.1 | 0.443 | |
| 3orp | AGS | Serine/threonine protein kinase | / | 0.443 | |
| 3qc9 | ADP | Rhodopsin kinase | / | 0.443 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.443 | |
| 4aw0 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.443 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.443 | |
| 4qmp | DKI | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.443 | |
| 1gth | FAD | Dihydropyrimidine dehydrogenase [NADP(+)] | 1.3.1.2 | 0.442 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.442 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.442 | |
| 1xkk | FMM | Epidermal growth factor receptor | 2.7.10.1 | 0.442 | |
| 2ghm | LIC | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 2i0y | 5CN | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.442 | |
| 2ozo | ANP | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.442 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.442 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.442 | |
| 3ggf | GVD | Serine/threonine-protein kinase 26 | / | 0.442 | |
| 3w0s | ANP | Hygromycin-B 4-O-kinase | 2.7.1.163 | 0.442 | |
| 3zly | YSO | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.442 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.442 | |
| 4k2r | ANP | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.442 | |
| 1q97 | ATP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.441 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2gqt | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.441 | |
| 2xne | ASH | Aurora kinase A | 2.7.11.1 | 0.441 | |
| 2zax | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3cis | ATP | Universal stress protein Rv2623 | / | 0.441 | |
| 3kvx | FMY | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.441 | |
| 3rkb | 12Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 3w2s | W2R | Epidermal growth factor receptor | 2.7.10.1 | 0.441 | |
| 4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4hhy | 15R | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.441 | |
| 4qms | 1N1 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.441 | |
| 5aac | VGH | ALK tyrosine kinase receptor | 2.7.10.1 | 0.441 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1j1b | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.440 | |
| 2itz | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.440 | |
| 2pzp | ACP | Fibroblast growth factor receptor 2 | / | 0.440 | |
| 2x2m | X2M | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.440 | |
| 2xrw | ANP | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.440 | |
| 2y9q | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.440 | |
| 2yir | YIR | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.440 | |
| 4gu9 | 4GU | Focal adhesion kinase 1 | 2.7.10.2 | 0.440 |