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 |
|---|---|---|---|
| 4b7t | CWT | Glycogen synthase kinase-3 beta | 2.7.11.26 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4b7t | CWT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 1.000 | |
| 4nm0 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.657 | |
| 4nm7 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.633 | |
| 4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.593 | |
| 4acd | GR9 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.588 | |
| 3sd0 | TSK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.583 | |
| 4j71 | 1JX | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.577 | |
| 4afj | SJJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.575 | |
| 4nm5 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.569 | |
| 3du8 | 553 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.565 | |
| 3q3b | 55E | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.561 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.560 | |
| 4ach | KDI | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.549 | |
| 3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.542 | |
| 3zrk | ZRK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.538 | |
| 4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.534 | |
| 3gb2 | G3B | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.531 | |
| 1q3d | STU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.530 | |
| 4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.529 | |
| 4j1r | I5R | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.529 | |
| 3zrm | ZRM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.528 | |
| 3f7z | 34O | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.516 | |
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.514 | |
| 3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.513 | |
| 3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.512 | |
| 1j1b | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.510 | |
| 1q3w | ATU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.506 | |
| 4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.501 | |
| 4dfn | 0K1 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.501 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.499 | |
| 2cch | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.495 | |
| 1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.494 | |
| 4qmy | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.494 | |
| 3zrl | ZRL | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.493 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.492 | |
| 1q4l | 679 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.491 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.487 | |
| 4qo9 | 627 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.483 | |
| 2itt | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.481 | |
| 1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.479 | |
| 1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.479 | |
| 4nj3 | 2KD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.479 | |
| 3jxw | LXG | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.476 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.476 | |
| 1m17 | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.475 | |
| 2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.475 | |
| 1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.473 | |
| 2ow3 | BIM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.473 | |
| 3a7h | ATP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.473 | |
| 3emg | 685 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.473 | |
| 3vf9 | 477 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.472 | |
| 4wbo | ANW | Rhodopsin kinase | / | 0.472 | |
| 2br1 | PFP | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.471 | |
| 1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.470 | |
| 4bcq | TJF | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.470 | |
| 2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.469 | |
| 2i0e | PDS | Protein kinase C beta type | 2.7.11.13 | 0.469 | |
| 1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.468 | |
| 4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.468 | |
| 4jrv | KJV | Epidermal growth factor receptor | 2.7.10.1 | 0.468 | |
| 1q99 | ANP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.466 | |
| 3l9l | L9L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.466 | |
| 2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.465 | |
| 2wpa | 889 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.465 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.464 | |
| 4o0r | X4Z | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.464 | |
| 1pme | SB2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.463 | |
| 3dtc | VIN | Mitogen-activated protein kinase kinase kinase 9 | 2.7.11.25 | 0.463 | |
| 3i60 | E86 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.463 | |
| 4bcn | T9N | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
| 4f4p | 0SB | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.463 | |
| 2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.462 | |
| 4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.462 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.462 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.461 | |
| 3bht | MFR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.461 | |
| 4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.461 | |
| 4jia | 1K3 | Tyrosine-protein kinase JAK2 | / | 0.461 | |
| 4jr3 | KJR | Epidermal growth factor receptor | 2.7.10.1 | 0.461 | |
| 1nvr | STU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.460 | |
| 1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.460 | |
| 2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.460 | |
| 3c4e | C4E | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.460 | |
| 4bco | T6Q | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
| 4hyi | 1AO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.460 | |
| 3u9n | 09H | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 4eoo | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.459 | |
| 4ftu | 7HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 4qmn | DB8 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.459 | |
| 4qmz | B49 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.459 | |
| 2qkr | IXM | Cdc2-like CDK2/CDC28 like protein kinase | / | 0.458 | |
| 2xyu | Q9G | Ephrin type-A receptor 4 | 2.7.10.1 | 0.458 | |
| 3umx | Q18 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.458 | |
| 4agu | D15 | Cyclin-dependent kinase-like 1 | / | 0.458 | |
| 4ft7 | H3K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.458 | |
| 3zdu | 38R | Cyclin-dependent kinase-like 3 | 2.7.11.22 | 0.457 | |
| 4fsw | HK6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.457 | |
| 4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.457 | |
| 2c3l | IDZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.456 | |
| 2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.456 | |
| 3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.456 | |
| 4fz6 | 0VG | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.456 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.456 | |
| 4k18 | 1OB | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.456 | |
| 1yi3 | LY2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.455 | |
| 2wih | P48 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
| 4ezk | 0SD | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.455 | |
| 4ftt | 6HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 1stc | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.454 | |
| 1yi4 | ADN | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.454 | |
| 3cy2 | MB9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
| 3t8o | ATP | Rhodopsin kinase | / | 0.453 | |
| 3tnw | F18 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
| 3vf8 | 0JE | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.453 | |
| 4fti | H7K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.453 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.453 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.453 | |
| 2j2i | LY4 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.452 | |
| 4ic7 | ANP | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.452 | |
| 2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.451 | |
| 2obj | VRV | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.451 | |
| 2wmx | ZY6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.451 | |
| 3js2 | VM1 | Fibroblast growth factor receptor 1 | / | 0.451 | |
| 3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.451 | |
| 4fv9 | E71 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.451 | |
| 4mq2 | 2C4 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2.7.12.1 | 0.451 | |
| 2brh | DFW | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.450 | |
| 4bcp | T3C | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 4hyh | 1AM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2bil | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 2qhm | 7CS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 4dfl | 0K0 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.449 | |
| 4ftm | 1HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 4qms | 1N1 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.449 | |
| 2hy0 | 306 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.448 | |
| 4b99 | R4L | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.448 | |
| 4c62 | XWW | Tyrosine-protein kinase JAK2 | / | 0.448 | |
| 4ix6 | ADP | Uncharacterized protein | / | 0.448 | |
| 4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.448 | |
| 1oiu | N76 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.447 | |
| 4ft0 | HK9 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
| 3amb | VX6 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.446 | |
| 4fsn | A58 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 4fv1 | EK4 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.446 | |
| 4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.446 | |
| 2itq | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 2itw | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 4eym | 0RX | Mitogen-activated protein kinase 13 | 2.7.11.24 | 0.445 | |
| 4ii5 | ADP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 4n70 | 2HX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.445 | |
| 1pkd | UCN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.444 | |
| 2i40 | BLZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.444 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.444 | |
| 4dgg | I76 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.444 | |
| 4g6o | E28 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.444 | |
| 2bkz | SBC | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.443 | |
| 4fv6 | E57 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.443 | |
| 4fz7 | 0VH | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.443 | |
| 4w9w | YDJ | BMP-2-inducible protein kinase | 2.7.11.1 | 0.443 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.443 | |
| 2brg | DFY | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 2wmu | ZYU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 2xch | CKG | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.442 | |
| 3cxw | 7CP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.442 | |
| 4bbe | 3O4 | Tyrosine-protein kinase JAK2 | / | 0.442 | |
| 4bgq | 38R | Cyclin-dependent kinase-like 5 | 2.7.11.22 | 0.442 | |
| 4c34 | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 4ft9 | H4K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 4fv3 | EK6 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.442 | |
| 4gk2 | L66 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.442 | |
| 4qna | X11 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.442 | |
| 1fvv | 107 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 2r0u | M54 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
| 3c4x | ATP | Rhodopsin kinase | / | 0.441 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.441 | |
| 4i0t | 1B6 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.441 | |
| 2itn | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.440 | |
| 2wmq | ZYQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 2wmw | ZYW | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 4fsq | HK3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 4gh2 | HK0 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 4gk4 | L90 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.440 | |
| 4mxx | DB8 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.440 | |
| 4nks | 2M2 | Fibroblast growth factor receptor 1 | / | 0.440 |