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 |
---|---|---|---|
3zrm | ZRM | Glycogen synthase kinase-3 beta | 2.7.11.26 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3zrm | ZRM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 1.000 | |
3zrk | ZRK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.723 | |
4acd | GR9 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.618 | |
3f7z | 34O | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.612 | |
3zrl | ZRL | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.600 | |
4j71 | 1JX | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.596 | |
3q3b | 55E | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.593 | |
4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.579 | |
3gb2 | G3B | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.566 | |
4ach | KDI | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.565 | |
2ow3 | BIM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.558 | |
1q3w | ATU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.556 | |
4j1r | I5R | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.555 | |
3sd0 | TSK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.554 | |
4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.553 | |
4b7t | CWT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.538 | |
1q3d | STU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.537 | |
1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.535 | |
3du8 | 553 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.535 | |
3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.533 | |
1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.529 | |
1r0e | DFN | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.529 | |
4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.528 | |
4nm0 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.525 | |
4nm7 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.525 | |
3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.522 | |
3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.519 | |
2wms | ZYS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.517 | |
1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.516 | |
1j1b | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.514 | |
3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.514 | |
1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.512 | |
1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.510 | |
2i0e | PDS | Protein kinase C beta type | 2.7.11.13 | 0.510 | |
4ftt | 6HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.510 | |
1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.509 | |
2br1 | PFP | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.507 | |
2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.505 | |
3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.501 | |
4afj | SJJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.500 | |
3eb0 | DRK | Uncharacterized protein | / | 0.495 | |
2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.492 | |
2c3l | IDZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.491 | |
1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.489 | |
1q4l | 679 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.489 | |
4ftr | 5HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.489 | |
3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.487 | |
2ayp | 43A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.486 | |
4fsw | HK6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.486 | |
4nm5 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.485 | |
2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.482 | |
4ft7 | H3K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.482 | |
2ym4 | 4YM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.479 | |
3vf9 | 477 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.479 | |
2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.478 | |
5dr9 | SKE | Aurora kinase A | 2.7.11.1 | 0.478 | |
2wmw | ZYW | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.476 | |
2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.475 | |
4ft0 | HK9 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.475 | |
4ftk | H9K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.475 | |
4o0w | ADN | Aurora kinase A | 2.7.11.1 | 0.475 | |
4w9w | YDJ | BMP-2-inducible protein kinase | 2.7.11.1 | 0.475 | |
4wbo | ANW | Rhodopsin kinase | / | 0.475 | |
2wmt | ZYT | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.474 | |
2wmu | ZYU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.474 | |
2ym5 | YM5 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.474 | |
4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.473 | |
2cch | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.472 | |
2hy0 | 306 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.472 | |
2xp2 | VGH | ALK tyrosine kinase receptor | 2.7.10.1 | 0.472 | |
2ym3 | YM3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.472 | |
2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.472 | |
4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.471 | |
2hxq | 373 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.470 | |
4qmy | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.470 | |
4fsm | HK1 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.469 | |
1zrz | BI1 | Protein kinase C iota type | 2.7.11.13 | 0.468 | |
1nxk | STU | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.467 | |
3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.466 | |
4c62 | XWW | Tyrosine-protein kinase JAK2 | / | 0.466 | |
1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.465 | |
2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.464 | |
2itq | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.464 | |
4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.464 | |
2wmx | ZY6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.463 | |
4gh2 | HK0 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.463 | |
4jrv | KJV | Epidermal growth factor receptor | 2.7.10.1 | 0.463 | |
2brg | DFY | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.462 | |
3mfs | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.462 | |
3r2b | 05B | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.462 | |
4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.462 | |
4qmn | DB8 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.462 | |
1m17 | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.461 | |
3a62 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.461 | |
3cjg | KIM | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.461 | |
1nvr | STU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.460 | |
2cdz | 23D | Serine/threonine-protein kinase PAK 4 | 2.7.11.1 | 0.460 | |
2p2h | 994 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.460 | |
4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.460 | |
4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.460 | |
4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.460 | |
3jxw | LXG | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.459 | |
2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.458 | |
3cxw | 7CP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.458 | |
3cy2 | MB9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.458 | |
3juq | AJD | Phenazine biosynthesis protein A/B | / | 0.458 | |
3mtf | A3F | Activin receptor type-1 | 2.7.11.30 | 0.458 | |
4ftu | 7HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.458 | |
4nj3 | 2KD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.457 | |
3ncg | BK1 | Calmodulin-domain protein kinase 1, putative | / | 0.457 | |
4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.457 | |
4fyn | 0VE | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.457 | |
4dfn | 0K1 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.456 | |
2qhm | 7CS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
3u9n | 09H | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
4fsz | HK8 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
1yi3 | LY2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.454 | |
3mfr | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.454 | |
1ouk | 084 | Mitogen-activated protein kinase 14 | / | 0.453 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.453 | |
2r7b | 253 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.453 | |
3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.453 | |
4hyi | 1AO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
2itt | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.452 | |
3umx | Q18 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.452 | |
4dgm | AGI | Casein kinase II subunit alpha | 2.7.11.1 | 0.451 | |
1ykd | CMP | Adenylate cyclase | / | 0.450 | |
2r0u | M54 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
3a60 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.450 | |
4hyh | 1AM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
4oac | ADP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.450 | |
2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
2uzu | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.449 | |
3ag9 | A02 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.449 | |
4anw | O92 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.449 | |
4bcq | TJF | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
4fsy | HK7 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
4j97 | ACP | Fibroblast growth factor receptor 2 | / | 0.449 | |
4jbp | YPH | Aurora kinase A | 2.7.11.1 | 0.449 | |
4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.449 | |
4riy | ADP | Epidermal growth factor receptor | 2.7.10.1 | 0.449 | |
1uu8 | BI1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.448 | |
4ccb | OFG | ALK tyrosine kinase receptor | 2.7.10.1 | 0.448 | |
4cd0 | AWJ | ALK tyrosine kinase receptor | 2.7.10.1 | 0.448 | |
1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.447 | |
2chl | DKI | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.447 | |
2i40 | BLZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
2xch | CKG | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.447 | |
3blr | CPB | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.447 | |
3emg | 685 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.447 | |
3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.447 | |
3zc6 | VFC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.447 | |
4ftm | 1HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
4jia | 1K3 | Tyrosine-protein kinase JAK2 | / | 0.447 | |
1pjc | NAD | Alanine dehydrogenase | / | 0.446 | |
1pkd | UCN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
3kkv | B99 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.446 | |
3oro | AGS | Serine/threonine protein kinase | / | 0.446 | |
4fl1 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.446 | |
3ckx | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.445 | |
4iwo | 1H4 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.445 | |
4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.444 | |
4ftc | H6K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
4k1b | 1OC | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.444 | |
4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.444 | |
1di8 | DTQ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
2oh0 | 2PY | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
4b99 | R4L | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.443 | |
4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.443 | |
4hvi | 19S | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.443 | |
4jik | 1KO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
4qna | X11 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.443 | |
2b7a | IZA | Tyrosine-protein kinase JAK2 | / | 0.442 | |
2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
2wxv | WXV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
3b8r | 887 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.442 | |
3pjc | PJC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.442 | |
4c9p | CAM | Cytochrome P450 | / | 0.442 | |
4fsq | HK3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
1q8u | H52 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.441 | |
2ojf | 4PY | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
2w05 | FRT | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
2wip | P49 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
2ydi | YDI | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
3tnw | F18 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
4hyu | 1BK | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.441 | |
4l9i | 8PR | Rhodopsin kinase | / | 0.441 | |
4q73 | FAD | Bifunctional protein PutA | / | 0.441 | |
1ny3 | ADP | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.440 | |
2phk | ATP | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2.7.11.19 | 0.440 | |
2wmq | ZYQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
2xru | 400 | Aurora kinase A | 2.7.11.1 | 0.440 | |
3tuc | FPW | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.440 | |
4bcm | T7Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
4c34 | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
4czt | CPS | CBL-interacting serine/threonine-protein kinase 23 | 2.7.11.1 | 0.440 |