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 |
|---|---|---|---|
| 3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3f88 | 3HT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 1.000 | |
| 4ach | KDI | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.596 | |
| 4afj | SJJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.569 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.567 | |
| 4acd | GR9 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.565 | |
| 4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.562 | |
| 4acc | 7YG | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.553 | |
| 3zrk | ZRK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.535 | |
| 1r0e | DFN | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.532 | |
| 3f7z | 34O | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.525 | |
| 2ow3 | BIM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.521 | |
| 3du8 | 553 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.521 | |
| 3say | OFT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.519 | |
| 4b7t | CWT | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.519 | |
| 1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.517 | |
| 3gb2 | G3B | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.516 | |
| 3zrm | ZRM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.516 | |
| 3pjc | PJC | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.514 | |
| 4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.514 | |
| 1q41 | IXM | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.513 | |
| 1uv5 | BRW | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.512 | |
| 1pyx | ANP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.510 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.509 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.502 | |
| 3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.501 | |
| 3dtc | VIN | Mitogen-activated protein kinase kinase kinase 9 | 2.7.11.25 | 0.497 | |
| 3q3b | 55E | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.497 | |
| 4oac | ADP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.496 | |
| 1yi4 | ADN | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.491 | |
| 2bik | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.491 | |
| 4j71 | 1JX | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.491 | |
| 3sd0 | TSK | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.489 | |
| 4bch | T7Z | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.489 | |
| 4lmu | QUE | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.488 | |
| 4bgg | 844 | Activin receptor type-1 | 2.7.11.30 | 0.487 | |
| 3cy3 | JN5 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.482 | |
| 4nm0 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.482 | |
| 2o65 | MYF | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.481 | |
| 4dym | IYZ | Activin receptor type-1 | 2.7.11.30 | 0.481 | |
| 2bil | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.480 | |
| 4dfn | 0K1 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.479 | |
| 4n70 | 2HX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.479 | |
| 1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.478 | |
| 3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.478 | |
| 2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.476 | |
| 3c4e | C4E | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.476 | |
| 3l9n | L9N | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.476 | |
| 4k0y | 1OA | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.475 | |
| 3l9l | L9L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.474 | |
| 4lm5 | Q17 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.474 | |
| 3a25 | SAM | tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase | / | 0.473 | |
| 3zrl | ZRL | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.473 | |
| 3u9n | 09H | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.471 | |
| 4oth | DRN | Serine/threonine-protein kinase N1 | / | 0.470 | |
| 1q4l | 679 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.469 | |
| 2ojg | 19A | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.469 | |
| 3iw4 | LW4 | Protein kinase C alpha type | 2.7.11.13 | 0.469 | |
| 3a60 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.467 | |
| 1yi3 | LY2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.465 | |
| 3blr | CPB | Cyclin-dependent kinase 9 | 2.7.11.22 | 0.465 | |
| 3bgq | VX2 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.464 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.464 | |
| 5dgz | L20 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.464 | |
| 4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.463 | |
| 4i0t | 1B6 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.463 | |
| 3mtf | A3F | Activin receptor type-1 | 2.7.11.30 | 0.462 | |
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 | 0.462 | |
| 4j1r | I5R | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.462 | |
| 4jvl | EST | Estrogen sulfotransferase | 2.8.2.4 | 0.462 | |
| 2j2i | LY4 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.461 | |
| 3mfs | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.461 | |
| 3vf9 | 477 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.461 | |
| 4l52 | 1UL | Mitogen-activated protein kinase kinase kinase 7 | 2.7.11.25 | 0.461 | |
| 1mq4 | ADP | Aurora kinase A | 2.7.11.1 | 0.460 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.460 | |
| 4jq7 | KJQ | Epidermal growth factor receptor | 2.7.10.1 | 0.460 | |
| 4mbl | 26L | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.460 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.459 | |
| 3bgp | VX1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.458 | |
| 3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.457 | |
| 4egn | TWO | Cytochrome P450 | / | 0.457 | |
| 4fl3 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.457 | |
| 3sp9 | IL2 | Peroxisome proliferator-activated receptor delta | / | 0.456 | |
| 4jq8 | KJ8 | Epidermal growth factor receptor | 2.7.10.1 | 0.456 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.455 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.455 | |
| 4hyi | 1AO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.455 | |
| 1yhs | STU | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.453 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.453 | |
| 3jpv | 1DR | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
| 3vbq | 0F5 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
| 4k18 | 1OB | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.452 | |
| 3w18 | N13 | Aurora kinase A | 2.7.11.1 | 0.452 | |
| 4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.452 | |
| 2bfy | H1N | Aurora kinase B-A | 2.7.11.1 | 0.451 | |
| 3bgz | VX3 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.451 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.451 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.451 | |
| 1xkk | FMM | Epidermal growth factor receptor | 2.7.10.1 | 0.450 | |
| 3arv | SAU | Chitinase A | / | 0.450 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.450 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 1u59 | STU | Tyrosine-protein kinase ZAP-70 | 2.7.10.2 | 0.449 | |
| 1xws | BI1 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 3k5u | PFQ | Aurora kinase A | 2.7.11.1 | 0.449 | |
| 4nm5 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.449 | |
| 1pme | SB2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.448 | |
| 1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.448 | |
| 3cy2 | MB9 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.448 | |
| 3r02 | UNM | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.448 | |
| 4eev | L1X | Hepatocyte growth factor receptor | 2.7.10.1 | 0.448 | |
| 4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.448 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.448 | |
| 5dp2 | NAP | CurF | / | 0.448 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 4gmy | 0X5 | Tyrosine-protein kinase JAK2 | / | 0.447 | |
| 4nm7 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.447 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.447 | |
| 1mj3 | HXC | Enoyl-CoA hydratase, mitochondrial | 4.2.1.17 | 0.446 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.446 | |
| 2c3i | IYZ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.446 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 2qmz | LDP | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.446 | |
| 3efw | AK8 | Aurora kinase A | 2.7.11.1 | 0.446 | |
| 4knz | CB3 | Thymidylate synthase | / | 0.446 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.446 | |
| 4zir | ANP | Energy-coupling factor transporter ATP-binding protein EcfA2 | 3.6.3 | 0.446 | |
| 4zir | ANP | Energy-coupling factor transporter ATP-binding protein EcfA1 | / | 0.446 | |
| 1eh4 | IC1 | Casein kinase I homolog 1 | 2.7.11.1 | 0.445 | |
| 1n83 | CLR | Nuclear receptor ROR-alpha | / | 0.445 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.445 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 3uix | Q17 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.445 | |
| 3vs5 | VSG | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.445 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.445 | |
| 4dpu | AGS | Mevalonate diphosphate decarboxylase | / | 0.445 | |
| 4u97 | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.445 | |
| 4xx9 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.445 | |
| 1byg | STU | Tyrosine-protein kinase CSK | / | 0.444 | |
| 1h1r | 6CP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 1wsv | THH | Aminomethyltransferase, mitochondrial | / | 0.444 | |
| 1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.444 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.444 | |
| 2e9u | A25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 2x86 | ADP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.444 | |
| 3ddq | RRC | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 4euf | NAD | Trans-2-enoyl-CoA reductase [NADH] | / | 0.444 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3eb0 | DRK | Uncharacterized protein | / | 0.443 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
| 3lj3 | WYE | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 3mfr | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.443 | |
| 4b7x | NAP | Probable oxidoreductase | / | 0.443 | |
| 4i0s | 1B5 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.443 | |
| 2bro | DF2 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 2jdv | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 3iel | U5P | Ribonuclease TTHA0252 | 3.1 | 0.442 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 3sgx | 0FW | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.442 | |
| 3zdi | UGJ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.442 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.441 | |
| 1lp4 | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.441 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.441 | |
| 2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.441 | |
| 4idt | T28 | Mitogen-activated protein kinase kinase kinase 14 | 2.7.11.25 | 0.441 | |
| 2chl | DKI | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.440 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 | |
| 2zjw | REF | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.440 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 5cvh | ADP | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 |