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 |
|---|---|---|---|
| 4l42 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4l42 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 1.000 | |
| 3we4 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.605 | |
| 4l3j | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.598 | |
| 4l3l | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.593 | |
| 4ftt | 6HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.510 | |
| 3amb | VX6 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.504 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.497 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.492 | |
| 3tkh | 07S | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.490 | |
| 3oez | STI | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.489 | |
| 2ydi | YDI | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.488 | |
| 1uu8 | BI1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.486 | |
| 3lij | ANP | Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands | / | 0.485 | |
| 4fti | H7K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.484 | |
| 1uvr | BI8 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.483 | |
| 2r7b | 253 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.482 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.482 | |
| 1uu3 | LY4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.480 | |
| 2wmq | ZYQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.479 | |
| 2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.478 | |
| 4fr4 | STU | Serine/threonine-protein kinase 32A | 2.7.11.1 | 0.478 | |
| 4rqv | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.476 | |
| 3rwp | ABQ | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.475 | |
| 4k1b | 1OC | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.475 | |
| 1yol | S03 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.473 | |
| 4l45 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.472 | |
| 1zrz | BI1 | Protein kinase C iota type | 2.7.11.13 | 0.471 | |
| 2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.471 | |
| 3qd3 | 3Q5 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.471 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.471 | |
| 2hxq | 373 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.470 | |
| 3ics | ADP | Coenzyme A disulfide reductase | / | 0.470 | |
| 3v8w | 0G2 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.470 | |
| 4fsn | A58 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.470 | |
| 2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.468 | |
| 4fv9 | E71 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.468 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.467 | |
| 2pe1 | 517 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.466 | |
| 2qhn | 582 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.466 | |
| 3icr | COA | Coenzyme A disulfide reductase | / | 0.466 | |
| 4jay | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.466 | |
| 3qai | XNN | Ketohexokinase | / | 0.465 | |
| 4lxh | C1E | Alpha/beta hydrolase fold | / | 0.465 | |
| 4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.464 | |
| 4enx | Z20 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.463 | |
| 1okz | UCN | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.462 | |
| 4eut | BX7 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.462 | |
| 4kik | KSA | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2.7.11.10 | 0.462 | |
| 2xf0 | 4UB | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.461 | |
| 3a7h | ATP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.461 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.461 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.461 | |
| 4bdg | P3J | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.461 | |
| 4h3c | 0YZ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.461 | |
| 1uu7 | BI2 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.460 | |
| 2c3l | IDZ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 3nun | JMZ | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.459 | |
| 4bdc | ODH | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.459 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.458 | |
| 2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.458 | |
| 2x6d | X6D | Aurora kinase A | 2.7.11.1 | 0.458 | |
| 4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.458 | |
| 4u9a | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.458 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.457 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.457 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.457 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.456 | |
| 2obj | VRV | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.456 | |
| 3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.456 | |
| 4c4h | 7RO | Dual specificity protein kinase TTK | 2.7.12.1 | 0.456 | |
| 4l7s | G7K | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.456 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.456 | |
| 5dt0 | SKE | Aurora kinase A | 2.7.11.1 | 0.456 | |
| 1wvx | BD4 | Death-associated protein kinase 1 | 2.7.11.1 | 0.455 | |
| 2ym6 | YM6 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 3lcd | BDY | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.455 | |
| 4c4g | 7RO | Dual specificity protein kinase TTK | 2.7.12.1 | 0.455 | |
| 1i7i | AZ2 | Peroxisome proliferator-activated receptor gamma | / | 0.454 | |
| 1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.454 | |
| 1rek | B8L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.454 | |
| 1uu9 | BI3 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.454 | |
| 2ayp | 43A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.454 | |
| 2b00 | GCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.454 | |
| 2w0j | ZAT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.454 | |
| 4fko | 20K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
| 4riy | ADP | Epidermal growth factor receptor | 2.7.10.1 | 0.454 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.453 | |
| 2c6e | HPM | Aurora kinase A | 2.7.11.1 | 0.453 | |
| 2cmw | OLP | Casein kinase I isoform gamma-1 | 2.7.11.1 | 0.453 | |
| 2ycq | UPX | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.453 | |
| 3ics | COA | Coenzyme A disulfide reductase | / | 0.453 | |
| 3iok | 1P6 | Tyrosine-protein kinase JAK2 | / | 0.453 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.453 | |
| 4rup | H97 | Vitamin D3 receptor A | / | 0.453 | |
| 3rfm | CFF | Adenosine receptor A2a | / | 0.453 | |
| 3a62 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.452 | |
| 3qlg | 1N1 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.452 | |
| 1uuo | BRF | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.451 | |
| 2yir | YIR | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.451 | |
| 4l44 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.451 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 1ojt | FAD | Dihydrolipoyl dehydrogenase | / | 0.450 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.450 | |
| 2xbj | XBJ | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.450 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.450 | |
| 4a06 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.450 | |
| 4c62 | XWW | Tyrosine-protein kinase JAK2 | / | 0.450 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 4fsq | HK3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 4ftr | 5HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.450 | |
| 3nuu | JOZ | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.449 | |
| 3t14 | FAD | Sulfide-quinone reductase | / | 0.449 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.449 | |
| 4k18 | 1OB | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 1yvj | 4ST | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.448 | |
| 3ggf | GVD | Serine/threonine-protein kinase 26 | / | 0.448 | |
| 3inm | NDP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.448 | |
| 3ma3 | 01I | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.448 | |
| 3q92 | XNB | Ketohexokinase | / | 0.448 | |
| 4c58 | 824 | Cyclin-G-associated kinase | 2.7.11.1 | 0.448 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.448 | |
| 4neu | Q1A | Receptor-interacting serine/threonine-protein kinase 1 | 2.7.11.1 | 0.448 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.448 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.448 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.447 | |
| 4a1z | ADP | Kinesin-like protein KIF11 | / | 0.447 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.447 | |
| 5ack | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.447 | |
| 2eq9 | FAD | Dihydrolipoyl dehydrogenase | / | 0.446 | |
| 2pyw | ADP | Methylthioribose kinase | 2.7.1.100 | 0.446 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.446 | |
| 2vv9 | IM9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3rak | 03Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3sw7 | 19K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3sz0 | FAD | Sulfide-quinone reductase | / | 0.446 | |
| 3v9v | 21L | Peroxisome proliferator-activated receptor gamma | / | 0.446 | |
| 4acm | 7YG | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 4bdh | WVI | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.446 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.446 | |
| 4ft0 | HK9 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 4fx3 | 60K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 4kzo | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.446 | |
| 2hy0 | 306 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 2r0u | M54 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 2vgp | AD6 | Aurora kinase B-A | 2.7.11.1 | 0.445 | |
| 3qd4 | 3Q6 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.445 | |
| 4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.445 | |
| 4ftk | H9K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.445 | |
| 5dpv | SKE | Aurora kinase A | 2.7.11.1 | 0.445 | |
| 1h1w | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 2e9c | B75 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.444 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.444 | |
| 5dr6 | SKE | Aurora kinase A | 2.7.11.1 | 0.444 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 4c4f | 7CE | Dual specificity protein kinase TTK | 2.7.12.1 | 0.443 | |
| 4f64 | 0S8 | Fibroblast growth factor receptor 1 | / | 0.443 | |
| 4fsm | HK1 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 4hnc | 0UT | Mandelate racemase | / | 0.443 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.443 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.443 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.442 | |
| 3at4 | CCK | Casein kinase II subunit alpha | 2.7.11.1 | 0.442 | |
| 3dey | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 3klm | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 4aw3 | MYV | Mycinamicin IV hydroxylase/epoxidase | / | 0.442 | |
| 4bl1 | ANP | Maternal embryonic leucine zipper kinase | 2.7.11.1 | 0.442 | |
| 4gj2 | 0XH | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.442 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 1pp9 | SMA | Cytochrome b | / | 0.441 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 2j7t | 274 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.441 | |
| 2ym7 | YM7 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
| 3cgo | JNO | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.441 | |
| 3eb0 | DRK | Uncharacterized protein | / | 0.441 | |
| 4bbf | O19 | Tyrosine-protein kinase JAK2 | / | 0.441 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.441 | |
| 1pjk | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 2izr | BRK | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.440 | |
| 2wmt | ZYT | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.440 | |
| 3ckx | STU | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.440 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.440 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.440 | |
| 3sgt | P09 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | / | 0.440 | |
| 3uyt | 0CK | Casein kinase I isoform delta | 2.7.11.1 | 0.440 | |
| 3vs5 | VSG | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.440 | |
| 4bdi | HAU | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.440 | |
| 4bi1 | ZO6 | Dual specificity protein kinase TTK | 2.7.12.1 | 0.440 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4fuy | EK2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.440 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 4mcv | 29K | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.440 | |
| 4ydu | ADP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.440 | |
| 5cms | APR | O-acetyl-ADP-ribose deacetylase | / | 0.440 | |
| 3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.440 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.440 |