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 |
---|---|---|---|
4gu9 | 4GU | Focal adhesion kinase 1 | 2.7.10.2 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4gu9 | 4GU | Focal adhesion kinase 1 | 2.7.10.2 | 1.000 | |
4k8a | K8A | Focal adhesion kinase 1 | 2.7.10.2 | 0.568 | |
2j0l | ANP | Focal adhesion kinase 1 | 2.7.10.2 | 0.564 | |
4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.526 | |
3t8o | ATP | Rhodopsin kinase | / | 0.525 | |
2ijm | ADP | Focal adhesion kinase 1 | 2.7.10.2 | 0.522 | |
2j0m | 4ST | Focal adhesion kinase 1 | 2.7.10.2 | 0.513 | |
3zew | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.510 | |
4jia | 1K3 | Tyrosine-protein kinase JAK2 | / | 0.510 | |
2ijm | ATP | Focal adhesion kinase 1 | 2.7.10.2 | 0.508 | |
2v7a | 627 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.508 | |
3fzp | AGS | Protein-tyrosine kinase 2-beta | 2.7.10.2 | 0.505 | |
3orm | AGS | Serine/threonine protein kinase | / | 0.505 | |
2etm | 7PY | Focal adhesion kinase 1 | 2.7.10.2 | 0.504 | |
4k33 | ACP | Fibroblast growth factor receptor 3 | 2.7.10.1 | 0.492 | |
4ic7 | ANP | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.490 | |
1q97 | ATP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.489 | |
1qcf | PP1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.488 | |
3c4x | ATP | Rhodopsin kinase | / | 0.487 | |
3ckx | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.486 | |
1i44 | ACP | Insulin receptor | 2.7.10.1 | 0.485 | |
2vgo | AD5 | Aurora kinase B-A | 2.7.11.1 | 0.485 | |
2hen | ADP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.484 | |
2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.484 | |
3c4z | ADP | Rhodopsin kinase | / | 0.484 | |
3qc9 | ADP | Rhodopsin kinase | / | 0.484 | |
3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.482 | |
4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.482 | |
4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.482 | |
3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.481 | |
1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.480 | |
2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.480 | |
2br1 | PFP | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.479 | |
2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.479 | |
4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.479 | |
4yhj | AN2 | G protein-coupled receptor kinase 4 | 2.7.11.16 | 0.479 | |
1mqb | ANP | Ephrin type-A receptor 2 | 2.7.10.1 | 0.478 | |
2cch | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.478 | |
2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.478 | |
2hxq | 373 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.478 | |
2wqe | ADP | Aurora kinase A | 2.7.11.1 | 0.478 | |
1ny3 | ADP | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.477 | |
4eoo | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.477 | |
4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.477 | |
4hvg | 19Q | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.477 | |
4j95 | ACP | Fibroblast growth factor receptor 2 | / | 0.477 | |
5av2 | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.477 | |
1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.475 | |
2ydi | YDI | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.473 | |
5dt3 | ATP | Aurora kinase A | 2.7.11.1 | 0.473 | |
2brg | DFY | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.472 | |
3c4w | ATP | Rhodopsin kinase | / | 0.472 | |
3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.472 | |
1xr1 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.470 | |
2w1f | L0F | Aurora kinase A | 2.7.11.1 | 0.470 | |
4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.470 | |
1nvr | STU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.469 | |
3pxk | PXK | Focal adhesion kinase 1 | 2.7.10.2 | 0.469 | |
3tkh | 07S | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.469 | |
4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.469 | |
4i4e | 1BQ | Focal adhesion kinase 1 | 2.7.10.2 | 0.469 | |
4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.469 | |
5dnr | ATP | Aurora kinase A | 2.7.11.1 | 0.469 | |
4fti | H7K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.468 | |
4qml | ANP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.468 | |
3c50 | ADP | Rhodopsin kinase | / | 0.467 | |
3hko | ANP | Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands | / | 0.467 | |
4k1b | 1OC | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.467 | |
1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.466 | |
4bfm | ANP | Maternal embryonic leucine zipper kinase | 2.7.11.1 | 0.466 | |
4ft9 | H4K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.466 | |
4xlv | ACP | Insulin receptor | 2.7.10.1 | 0.466 | |
3v8w | 0G2 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.465 | |
1jkl | ANP | Death-associated protein kinase 1 | 2.7.11.1 | 0.464 | |
4bdg | P3J | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.464 | |
4ft3 | H1K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.464 | |
2wmq | ZYQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
3mfr | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.463 | |
4bbe | 3O4 | Tyrosine-protein kinase JAK2 | / | 0.463 | |
4fsn | A58 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
4ftj | H8K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.463 | |
1yvj | 4ST | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.462 | |
2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.462 | |
3a4o | STU | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.462 | |
4mcv | 29K | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.462 | |
1ir3 | ANP | Insulin receptor | 2.7.10.1 | 0.461 | |
1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.461 | |
1q99 | ANP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.461 | |
1fvv | 107 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
2ayp | 43A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.460 | |
2cke | IQU | Death-associated protein kinase 2 | / | 0.460 | |
2phk | ATP | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2.7.11.19 | 0.460 | |
2x9f | X9F | Ephrin type-B receptor 4 | 2.7.10.1 | 0.460 | |
5av3 | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.460 | |
1pkd | UCN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.459 | |
2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
2qhm | 7CS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
2xvd | AS6 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.459 | |
4e4m | 0NH | Tyrosine-protein kinase JAK2 | / | 0.459 | |
4fl1 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.459 | |
4hvi | 19S | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.459 | |
5dn3 | ATP | Aurora kinase A | 2.7.11.1 | 0.459 | |
2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.458 | |
2i40 | BLZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
2qoq | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.458 | |
2w05 | FRT | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
4b99 | R4L | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.458 | |
2brm | DFZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.457 | |
3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.457 | |
4ccb | OFG | ALK tyrosine kinase receptor | 2.7.10.1 | 0.457 | |
4gih | 0X5 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.457 | |
2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.456 | |
2ycs | NXP | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.456 | |
4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.456 | |
4gfo | 0X2 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.456 | |
2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.455 | |
2izs | BRQ | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.455 | |
3bqr | 4RB | Death-associated protein kinase 3 | / | 0.455 | |
3cok | ANP | Serine/threonine-protein kinase PLK4 | 2.7.11.21 | 0.455 | |
2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.454 | |
2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.454 | |
4bdf | H3R | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.454 | |
4nka | 2K7 | Fibroblast growth factor receptor 1 | / | 0.454 | |
4nks | 2M2 | Fibroblast growth factor receptor 1 | / | 0.454 | |
4uya | AGS | Mitogen-activated protein kinase kinase kinase 21 | 2.7.11.25 | 0.454 | |
1q8y | ADP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.453 | |
2iw8 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
3tnw | F18 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
5auv | AGI | Death-associated protein kinase 1 | 2.7.11.1 | 0.453 | |
2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.452 | |
2x1n | X1N | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
3qyw | 6PB | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.452 | |
4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.452 | |
1byg | STU | Tyrosine-protein kinase CSK | / | 0.451 | |
3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.451 | |
4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.451 | |
4otp | ADP | Serine/threonine-protein kinase RIO1 | 2.7.11.1 | 0.451 | |
5eg3 | ACP | Fibroblast growth factor receptor 2 | / | 0.451 | |
1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
2c3l | IDZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.450 | |
2r7b | 253 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.450 | |
3my5 | RFZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
3oro | AGS | Serine/threonine protein kinase | / | 0.450 | |
4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.450 | |
4iwo | 1H4 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.450 | |
2acx | ANP | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.449 | |
2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.449 | |
2uzd | C85 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
2x6d | X6D | Aurora kinase A | 2.7.11.1 | 0.449 | |
3a62 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.449 | |
3a7j | ADP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.449 | |
3gu6 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.449 | |
3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.449 | |
4ftt | 6HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
4l9i | 8PR | Rhodopsin kinase | / | 0.449 | |
4mvf | STU | Calcium-dependent protein kinase 2 | 2.7.11.1 | 0.449 | |
4qmt | H1N | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.449 | |
2uzb | C75 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
3js2 | VM1 | Fibroblast growth factor receptor 1 | / | 0.448 | |
3llt | ANP | Protein serine/threonine kinase-1 | / | 0.448 | |
3ori | AGS | Serine/threonine protein kinase | / | 0.448 | |
3ort | AGS | Serine/threonine protein kinase | / | 0.448 | |
3ztx | ZTX | Aurora kinase B-A | 2.7.11.1 | 0.448 | |
4bcm | T7Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
4cd0 | AWJ | ALK tyrosine kinase receptor | 2.7.10.1 | 0.447 | |
4fsm | HK1 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
4fsu | HK5 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
4jrn | ANP | Rhoptry kinase family protein | / | 0.447 | |
5aux | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.447 | |
1ol7 | ADP | Aurora kinase A | 2.7.11.1 | 0.446 | |
1u5r | ATP | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.446 | |
2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.446 | |
2yit | YIT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.446 | |
3jy0 | LYG | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.446 | |
3lct | ADP | ALK tyrosine kinase receptor | 2.7.10.1 | 0.446 | |
3sc1 | 3S1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
4j97 | ACP | Fibroblast growth factor receptor 2 | / | 0.446 | |
4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.446 | |
4y93 | 746 | Tyrosine-protein kinase | / | 0.446 | |
2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.445 | |
3zw3 | ZW3 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
3zxt | ACP | Death-associated protein kinase 1 | 2.7.11.1 | 0.445 | |
4ftk | H9K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.445 | |
4k18 | 1OB | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.445 | |
5auw | QUE | Death-associated protein kinase 1 | 2.7.11.1 | 0.445 | |
2itq | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
2xm9 | LWH | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.444 | |
3a7h | ATP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.444 | |
3cbl | STU | Tyrosine-protein kinase Fes/Fps | 2.7.10.2 | 0.444 | |
3cly | ACP | Fibroblast growth factor receptor 2 | / | 0.444 | |
3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.444 | |
3lcd | BDY | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.444 | |
4bcq | TJF | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
4btj | ADP | Tau-tubulin kinase 1 | 2.7.11.1 | 0.444 | |
4c3p | ACP | Aurora kinase A | 2.7.11.1 | 0.444 | |
2qo7 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.443 | |
3gu7 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.443 | |
4bdc | ODH | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.443 | |
4ezj | 0SC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
4fx3 | 60K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
4g1w | G1W | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.443 | |
5auz | GEN | Death-associated protein kinase 1 | 2.7.11.1 | 0.443 | |
1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.442 | |
2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
2cmw | OLP | Casein kinase I isoform gamma-1 | 2.7.11.1 | 0.442 | |
3igo | ANP | Calmodulin-domain protein kinase 1, putative | / | 0.442 | |
3wow | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.442 | |
2zjw | REF | Casein kinase II subunit alpha | 2.7.11.1 | 0.441 | |
3bu5 | ATP | Insulin receptor | 2.7.10.1 | 0.441 | |
4c4j | X21 | Dual specificity protein kinase TTK | 2.7.12.1 | 0.441 | |
4dee | ADP | Aurora kinase A | 2.7.11.1 | 0.441 | |
4f63 | 0S7 | Fibroblast growth factor receptor 1 | / | 0.441 | |
4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.441 | |
1fin | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
1zp9 | ATP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.440 | |
1zth | ADP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.440 | |
4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
4btk | DTQ | Tau-tubulin kinase 1 | 2.7.11.1 | 0.440 | |
4fl3 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.440 | |
4krc | AGS | Cyclin-dependent protein kinase PHO85 | 2.7.11.22 | 0.440 |