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 |
|---|---|---|---|
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 1.000 | |
| 1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.609 | |
| 3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.596 | |
| 1q3w | ATU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.549 | |
| 1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.548 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.543 | |
| 4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.539 | |
| 1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.529 | |
| 1j1b | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.520 | |
| 4dgm | AGI | Casein kinase II subunit alpha | 2.7.11.1 | 0.519 | |
| 4acd | GR9 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.516 | |
| 3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.509 | |
| 4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.504 | |
| 2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.501 | |
| 4fv6 | E57 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.501 | |
| 3gb2 | G3B | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.499 | |
| 4j1r | I5R | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.499 | |
| 3be9 | P04 | Casein kinase II subunit alpha | 2.7.11.1 | 0.498 | |
| 3rak | 03Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.498 | |
| 1q3d | STU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.495 | |
| 3f7z | 34O | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.494 | |
| 4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.493 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.487 | |
| 4afj | SJJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.486 | |
| 2pvh | P19 | Casein kinase II subunit alpha | 2.7.11.1 | 0.485 | |
| 5e8y | STU | TGF-beta receptor type-2 | 2.7.11.30 | 0.485 | |
| 4ach | KDI | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.483 | |
| 4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.482 | |
| 4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.482 | |
| 4fkv | 61K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.482 | |
| 2x2l | X2L | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.480 | |
| 3i60 | E86 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.480 | |
| 2vv9 | IM9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.479 | |
| 2vz6 | FEF | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2.7.11.17 | 0.478 | |
| 1y91 | CT9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.474 | |
| 3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.474 | |
| 4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.473 | |
| 4hge | 15V | Tyrosine-protein kinase JAK2 | / | 0.472 | |
| 1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.471 | |
| 3s1h | 56Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.471 | |
| 4iwo | 1H4 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.470 | |
| 4jaj | XU1 | Aurora kinase A | 2.7.11.1 | 0.469 | |
| 3du8 | 553 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.467 | |
| 5dr9 | SKE | Aurora kinase A | 2.7.11.1 | 0.467 | |
| 4hvi | 19S | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.466 | |
| 4o0w | ADN | Aurora kinase A | 2.7.11.1 | 0.466 | |
| 2x8i | X8I | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.465 | |
| 3pe2 | E1B | Casein kinase II subunit alpha | 2.7.11.1 | 0.465 | |
| 3she | I85 | MAP kinase-activated protein kinase 3 | 2.7.11.1 | 0.465 | |
| 4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.465 | |
| 1om1 | IQA | Casein kinase II subunit alpha | 2.7.11.1 | 0.464 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.464 | |
| 2vtt | LZD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.464 | |
| 4anm | WUL | Casein kinase II subunit alpha | 2.7.11.1 | 0.464 | |
| 4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.464 | |
| 5dos | ATP | Aurora kinase A | 2.7.11.1 | 0.464 | |
| 1m2p | HNA | Casein kinase II subunit alpha | 2.7.11.1 | 0.463 | |
| 2btr | U73 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
| 1day | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.462 | |
| 4bie | IE6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.462 | |
| 4f9c | 0SX | Cell division cycle 7-related protein kinase | 2.7.11.1 | 0.462 | |
| 5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.462 | |
| 3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.461 | |
| 3q9x | EMO | Casein kinase II subunit alpha | 2.7.11.1 | 0.461 | |
| 3qu0 | X40 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.461 | |
| 4e6d | 0NU | Tyrosine-protein kinase JAK2 | / | 0.461 | |
| 4grb | 0XG | Casein kinase II subunit alpha | 2.7.11.1 | 0.461 | |
| 2pvl | P55 | Casein kinase II subunit alpha | 2.7.11.1 | 0.460 | |
| 3rkb | 12Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
| 5dt3 | ATP | Aurora kinase A | 2.7.11.1 | 0.460 | |
| 2bts | U32 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.459 | |
| 3rmf | 20Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.459 | |
| 1e9h | INR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
| 2vtq | LZA | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
| 3rvg | 17P | Tyrosine-protein kinase JAK2 | / | 0.458 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.458 | |
| 4btj | ATP | Tau-tubulin kinase 1 | 2.7.11.1 | 0.458 | |
| 4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.458 | |
| 4o0r | X4Z | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.458 | |
| 2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.457 | |
| 4bgh | 3I6 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 1ykr | 628 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.456 | |
| 4fkj | 11K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.456 | |
| 4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
| 5e92 | ANP | TGF-beta receptor type-2 | 2.7.11.30 | 0.456 | |
| 1w0x | OLO | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
| 3ofm | 4B0 | Casein kinase II subunit alpha' | 2.7.11.1 | 0.455 | |
| 3rk7 | 08Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
| 4bl1 | ANP | Maternal embryonic leucine zipper kinase | 2.7.11.1 | 0.455 | |
| 4ix6 | ADP | Uncharacterized protein | / | 0.455 | |
| 2cch | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
| 4ft7 | H3K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.454 | |
| 1h1r | 6CP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
| 1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 1daw | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.452 | |
| 1m2r | MNY | Casein kinase II subunit alpha | 2.7.11.1 | 0.452 | |
| 4aqc | 88A | Tyrosine-protein kinase JAK2 | / | 0.452 | |
| 4fti | H7K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
| 1pxo | CK7 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
| 2b9i | ADP | Mitogen-activated protein kinase FUS3 | 2.7.11.24 | 0.451 | |
| 2h8h | H8H | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.451 | |
| 2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.451 | |
| 2j9m | PY8 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
| 2pvm | P29 | Casein kinase II subunit alpha | 2.7.11.1 | 0.451 | |
| 2y9q | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.451 | |
| 3qtu | X44 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
| 4bid | IE8 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.451 | |
| 4dee | ADP | Aurora kinase A | 2.7.11.1 | 0.451 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.450 | |
| 3rpo | 24Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 4fsu | HK5 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.450 | |
| 4o0s | ADN | Aurora kinase A | 2.7.11.1 | 0.450 | |
| 3le6 | 2BZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.449 | |
| 4fv5 | EK9 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.449 | |
| 4k33 | ACP | Fibroblast growth factor receptor 3 | 2.7.10.1 | 0.449 | |
| 4otp | ADP | Serine/threonine-protein kinase RIO1 | 2.7.11.1 | 0.449 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.449 | |
| 1oiy | N41 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 2pmo | HMD | Protein kinase 7 | / | 0.448 | |
| 2w1f | L0F | Aurora kinase A | 2.7.11.1 | 0.448 | |
| 2x1n | X1N | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 3iok | 1P6 | Tyrosine-protein kinase JAK2 | / | 0.448 | |
| 4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.448 | |
| 4rcv | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.448 | |
| 3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.447 | |
| 3qxp | X64 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
| 3zc6 | VFC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.447 | |
| 4jbp | YPH | Aurora kinase A | 2.7.11.1 | 0.447 | |
| 1di8 | DTQ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 1ny3 | ADP | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.446 | |
| 1oky | STU | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
| 1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.446 | |
| 2csn | CKI | Casein kinase I homolog 1 | 2.7.11.1 | 0.446 | |
| 2ivu | ZD6 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.446 | |
| 2xch | CKG | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
| 3mfs | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.446 | |
| 3qd0 | 3Q4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
| 4agu | D15 | Cyclin-dependent kinase-like 1 | / | 0.446 | |
| 4aot | GW8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.446 | |
| 4f08 | 1RS | Tyrosine-protein kinase JAK2 | / | 0.446 | |
| 1fvv | 107 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 1g5s | I17 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 1vjy | 460 | TGF-beta receptor type-1 | 2.7.11.30 | 0.445 | |
| 2cdz | 23D | Serine/threonine-protein kinase PAK 4 | 2.7.11.1 | 0.445 | |
| 3igg | EFQ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 3il1 | B5D | Glutamate receptor 2 | / | 0.445 | |
| 3qtx | X43 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 4fl2 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.445 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.445 | |
| 5dn3 | ATP | Aurora kinase A | 2.7.11.1 | 0.445 | |
| 1oi9 | N20 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 2c3l | IDZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.443 | |
| 2cgx | 3D3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 3hmm | 855 | TGF-beta receptor type-1 | 2.7.11.30 | 0.443 | |
| 3nyn | SGV | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.443 | |
| 4anw | O92 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4fkt | 48K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 4ft9 | H4K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 5dnr | ATP | Aurora kinase A | 2.7.11.1 | 0.443 | |
| 1gii | 1PU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 1ol5 | ADP | Aurora kinase A | 2.7.11.1 | 0.442 | |
| 1u54 | ACP | Activated CDC42 kinase 1 | / | 0.442 | |
| 2clq | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.442 | |
| 2vu3 | LZE | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 3at4 | CCK | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
| 3axw | TID | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
| 3cd3 | STU | Tyrosine-protein kinase Fes/Fps | 2.7.10.2 | 0.442 | |
| 3ezr | EZR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 3sw4 | 18K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 4r8q | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.442 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.442 | |
| 5dt4 | ATP | Aurora kinase A | 2.7.11.1 | 0.442 | |
| 1pkd | UCN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.441 | |
| 2zv2 | 609 | Calcium/calmodulin-dependent protein kinase kinase 2 | 2.7.11.17 | 0.441 | |
| 3c4z | ADP | Rhodopsin kinase | / | 0.441 | |
| 3gxl | QIG | TGF-beta receptor type-1 | 2.7.11.30 | 0.441 | |
| 3rk9 | 09Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 3rpv | 26Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.441 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.441 | |
| 4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.441 | |
| 1lp4 | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 2wmq | ZYQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 2ydi | YDI | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.440 | |
| 3gu6 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.440 | |
| 3vw6 | IM6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.440 |