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 |
|---|---|---|---|
| 1yi4 | ADN | Serine/threonine-protein kinase pim-1 | 2.7.11.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1yi4 | ADN | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 1.000 | |
| 3cy3 | JN5 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.700 | |
| 3c4e | C4E | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.657 | |
| 2bil | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.640 | |
| 2o65 | MYF | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.639 | |
| 2j2i | LY4 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.631 | |
| 1yhs | STU | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.626 | |
| 2obj | VRV | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.624 | |
| 3bgq | VX2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.617 | |
| 3uix | Q17 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.617 | |
| 4k0y | 1OA | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.616 | |
| 3jxw | LXG | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.613 | |
| 3bgz | VX3 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.609 | |
| 3jpv | 1DR | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.609 | |
| 4lm5 | Q17 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.606 | |
| 4lmu | QUE | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.604 | |
| 5dgz | L20 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.601 | |
| 1yi3 | LY2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.597 | |
| 4dtk | 7LI | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.597 | |
| 4k18 | 1OB | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.597 | |
| 1xws | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.595 | |
| 3umx | Q18 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.595 | |
| 3bgp | VX1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.587 | |
| 3cy2 | MB9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.587 | |
| 4a7c | E46 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.585 | |
| 3ma3 | 01I | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.584 | |
| 3r02 | UNM | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.582 | |
| 4mbl | 26L | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.574 | |
| 4n70 | 2HX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.568 | |
| 3dcv | 55E | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.567 | |
| 3r04 | UNQ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.567 | |
| 4gw8 | 3RA | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.564 | |
| 4k1b | 1OC | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.564 | |
| 4bzn | UGX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.563 | |
| 3vbq | 0F5 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.560 | |
| 2xiz | XIZ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.559 | |
| 3jy0 | LYG | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.558 | |
| 2bik | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.550 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.547 | |
| 2c3i | IYZ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.545 | |
| 3cxw | 7CP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.542 | |
| 4bzo | 676 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.541 | |
| 3iw4 | LW4 | Protein kinase C alpha type | 2.7.11.13 | 0.540 | |
| 2xiy | XIY | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.538 | |
| 4n6z | 2HW | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.531 | |
| 4i41 | MIX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.527 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.525 | |
| 4enx | Z20 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.524 | |
| 4eny | J19 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.517 | |
| 3qf9 | NM8 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.515 | |
| 3umw | 596 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.515 | |
| 4oth | DRN | Serine/threonine-protein kinase N1 | / | 0.514 | |
| 1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.509 | |
| 2xj1 | XJ1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.504 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.503 | |
| 3l9l | L9L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.499 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.498 | |
| 3a4p | DFQ | Hepatocyte growth factor receptor | 2.7.10.1 | 0.497 | |
| 1xr1 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.496 | |
| 4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.495 | |
| 4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.492 | |
| 4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.490 | |
| 2xj2 | 985 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.489 | |
| 4hyi | 1AO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.489 | |
| 3u9n | 09H | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.488 | |
| 3mtf | A3F | Activin receptor type-1 | 2.7.11.30 | 0.487 | |
| 2cke | IQU | Death-associated protein kinase 2 | / | 0.485 | |
| 4fg7 | ATP | Calcium/calmodulin-dependent protein kinase type 1 | 2.7.11.17 | 0.485 | |
| 4jq8 | KJ8 | Epidermal growth factor receptor | 2.7.10.1 | 0.484 | |
| 5av2 | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.484 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.483 | |
| 4hni | 16W | Casein kinase I isoform epsilon | 2.7.11.1 | 0.483 | |
| 4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.481 | |
| 4hnf | 16W | Casein kinase I isoform delta | 2.7.11.1 | 0.481 | |
| 3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.480 | |
| 4acd | GR9 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.480 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.480 | |
| 2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.479 | |
| 3uyt | 0CK | Casein kinase I isoform delta | 2.7.11.1 | 0.477 | |
| 2ydj | YDJ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.476 | |
| 3pjc | PJC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.476 | |
| 4yuq | KS1 | Calmodulin-like domain protein kinase | / | 0.475 | |
| 1xjd | STU | Protein kinase C theta type | 2.7.11.13 | 0.474 | |
| 2uxp | CLM | HTH-type transcriptional regulator TtgR | / | 0.473 | |
| 3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.473 | |
| 1zys | 199 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.472 | |
| 4afj | SJJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.472 | |
| 1h1s | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.471 | |
| 4wbo | ANW | Rhodopsin kinase | / | 0.468 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.468 | |
| 1stc | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.467 | |
| 2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.467 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.467 | |
| 1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.466 | |
| 4b7t | CWT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.466 | |
| 3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.465 | |
| 3vs5 | VSG | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.465 | |
| 3mvl | 38P | Mitogen-activated protein kinase 14 | / | 0.464 | |
| 4ach | KDI | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.464 | |
| 1wvx | BD4 | Death-associated protein kinase 1 | 2.7.11.1 | 0.463 | |
| 3du8 | 553 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.462 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.462 | |
| 4gg7 | 0J8 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.462 | |
| 3dtc | VIN | Mitogen-activated protein kinase kinase kinase 9 | 2.7.11.25 | 0.461 | |
| 3sd0 | TSK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.461 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.461 | |
| 4bbe | 3O4 | Tyrosine-protein kinase JAK2 | / | 0.461 | |
| 3gu6 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.460 | |
| 3t8o | ATP | Rhodopsin kinase | / | 0.460 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 2itt | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.459 | |
| 3gub | GUB | Death-associated protein kinase 1 | 2.7.11.1 | 0.458 | |
| 4grb | 0XG | Casein kinase II subunit alpha | 2.7.11.1 | 0.458 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.457 | |
| 4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.457 | |
| 5auw | QUE | Death-associated protein kinase 1 | 2.7.11.1 | 0.457 | |
| 4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.456 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.455 | |
| 4ftj | H8K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 3vs2 | VSB | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.454 | |
| 4aoj | V4Z | High affinity nerve growth factor receptor | 2.7.10.1 | 0.454 | |
| 4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.454 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.454 | |
| 4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.454 | |
| 4ic7 | ANP | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.454 | |
| 5av3 | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.454 | |
| 2brm | DFZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 4feq | 0T8 | Tyrosine-protein kinase receptor TYRO3 | 2.7.10.1 | 0.453 | |
| 4kbk | 1QG | Casein kinase I isoform delta | 2.7.11.1 | 0.453 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.452 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.452 | |
| 4l45 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.452 | |
| 5f0a | 1FB | cGMP-dependent protein kinase, putative | / | 0.452 | |
| 1eh4 | IC1 | Casein kinase I homolog 1 | 2.7.11.1 | 0.451 | |
| 3t9i | 3T9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.451 | |
| 4bdf | H3R | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.451 | |
| 4bfm | ANP | Maternal embryonic leucine zipper kinase | 2.7.11.1 | 0.451 | |
| 4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.451 | |
| 4hgl | 0YO | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.451 | |
| 1q4t | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.450 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.450 | |
| 2br1 | PFP | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2h8h | H8H | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.450 | |
| 3bu5 | ATP | Insulin receptor | 2.7.10.1 | 0.450 | |
| 3c7q | XIN | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.450 | |
| 3she | I85 | MAP kinase-activated protein kinase 3 | 2.7.11.1 | 0.450 | |
| 4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.450 | |
| 4jr3 | KJR | Epidermal growth factor receptor | 2.7.10.1 | 0.450 | |
| 4oac | ADP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.450 | |
| 1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 2uxu | NAR | HTH-type transcriptional regulator TtgR | / | 0.449 | |
| 2yir | YIR | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.449 | |
| 3bht | MFR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3kc3 | MK2 | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.449 | |
| 3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.449 | |
| 4aac | AAV | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.449 | |
| 5aux | KMP | Death-associated protein kinase 1 | 2.7.11.1 | 0.449 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 3w33 | W19 | Epidermal growth factor receptor | 2.7.10.1 | 0.448 | |
| 2b36 | 5PP | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 2xbj | XBJ | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.447 | |
| 3a60 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.447 | |
| 3orm | AGS | Serine/threonine protein kinase | / | 0.447 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.447 | |
| 4jq7 | KJQ | Epidermal growth factor receptor | 2.7.10.1 | 0.447 | |
| 4qmz | B49 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.447 | |
| 3bqr | 4RB | Death-associated protein kinase 3 | / | 0.446 | |
| 3qk0 | QK0 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 3w2s | W2R | Epidermal growth factor receptor | 2.7.10.1 | 0.446 | |
| 2hy0 | 306 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 3blr | CPB | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.445 | |
| 3vet | ADP | nebramycin 5' synthase | 6.1.2.2 | 0.445 | |
| 4a06 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.445 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.445 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.445 | |
| 5auu | LU2 | Death-associated protein kinase 1 | 2.7.11.1 | 0.445 | |
| 5auv | AGI | Death-associated protein kinase 1 | 2.7.11.1 | 0.445 | |
| 1qcf | PP1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.444 | |
| 2j0k | 4ST | Focal adhesion kinase 1 | 2.7.10.2 | 0.444 | |
| 3r3b | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.444 | |
| 4bid | IE8 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.444 | |
| 2brn | DF1 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.443 | |
| 3a4o | STU | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.443 | |
| 3c4x | ATP | Rhodopsin kinase | / | 0.443 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4xlv | ACP | Insulin receptor | 2.7.10.1 | 0.443 | |
| 1nvr | STU | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 1t1r | IMB | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.442 | |
| 2acx | ANP | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.442 | |
| 2ycq | UPX | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.442 | |
| 3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 1p4f | DRG | Death-associated protein kinase 1 | 2.7.11.1 | 0.441 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
| 2i0e | PDS | Protein kinase C beta type | 2.7.11.13 | 0.441 | |
| 2xk9 | XK9 | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.441 | |
| 2ycs | NXP | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.441 | |
| 3apf | BMW | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 3kn5 | ANP | Ribosomal protein S6 kinase alpha-5 | 2.7.11.1 | 0.441 | |
| 4fkg | 4CK | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 4fr4 | STU | Serine/threonine-protein kinase 32A | 2.7.11.1 | 0.441 | |
| 1k7f | IAV | Tryptophan synthase alpha chain | / | 0.440 | |
| 1m17 | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.440 | |
| 1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.440 | |
| 3l9n | L9N | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 4mq2 | 2C4 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2.7.12.1 | 0.440 |