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 |
|---|---|---|---|
| 2pvk | P45 | Casein kinase II subunit alpha | 2.7.11.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2pvk | P45 | Casein kinase II subunit alpha | 2.7.11.1 | 1.000 | |
| 1lp4 | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.624 | |
| 2pvl | P55 | Casein kinase II subunit alpha | 2.7.11.1 | 0.619 | |
| 2pvj | P44 | Casein kinase II subunit alpha | 2.7.11.1 | 0.584 | |
| 2pvh | P19 | Casein kinase II subunit alpha | 2.7.11.1 | 0.575 | |
| 2pvm | P29 | Casein kinase II subunit alpha | 2.7.11.1 | 0.563 | |
| 1daw | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.546 | |
| 4lfi | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.529 | |
| 1day | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.528 | |
| 3be9 | P04 | Casein kinase II subunit alpha | 2.7.11.1 | 0.527 | |
| 4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.518 | |
| 2pvn | P63 | Casein kinase II subunit alpha | 2.7.11.1 | 0.508 | |
| 5cvh | ADP | Casein kinase II subunit alpha | 2.7.11.1 | 0.494 | |
| 4mwh | ATP | Casein kinase II subunit alpha | 2.7.11.1 | 0.491 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.489 | |
| 4jr7 | GNP | Casein kinase II subunit alpha | 2.7.11.1 | 0.489 | |
| 2bun | FAD | AppA protein | / | 0.488 | |
| 4kxn | 6K6 | 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 | / | 0.484 | |
| 3elj | GS7 | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.483 | |
| 3at3 | ATK | Casein kinase II subunit alpha | 2.7.11.1 | 0.482 | |
| 1m2q | MNX | Casein kinase II subunit alpha | 2.7.11.1 | 0.481 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.481 | |
| 4anm | WUL | Casein kinase II subunit alpha | 2.7.11.1 | 0.481 | |
| 2v5a | LZL | Biotin carboxylase | 6.3.4.14 | 0.479 | |
| 4dgm | AGI | Casein kinase II subunit alpha | 2.7.11.1 | 0.479 | |
| 2fhn | BNI | Avidin-related protein 4/5 | / | 0.478 | |
| 4v01 | 0LI | Fibroblast growth factor receptor 1 (Fms-related tyrosine kinase 2, Pfeiffer syndrome), isoform CRA_b | / | 0.478 | |
| 5ar4 | SB2 | Receptor-interacting serine/threonine-protein kinase 2 | 2.7.11.1 | 0.477 | |
| 4aqc | 88A | Tyrosine-protein kinase JAK2 | / | 0.476 | |
| 4dgn | LU2 | Casein kinase II subunit alpha | 2.7.11.1 | 0.475 | |
| 3crz | FAD | Ferredoxin--NADP+ reductase | / | 0.474 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1eyq | NAR | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.472 | |
| 1pmv | 537 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.472 | |
| 1m2r | MNY | Casein kinase II subunit alpha | 2.7.11.1 | 0.471 | |
| 3cgf | JNF | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.469 | |
| 3pe2 | E1B | Casein kinase II subunit alpha | 2.7.11.1 | 0.469 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.469 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.469 | |
| 5cvc | PLP | Serine racemase | / | 0.469 | |
| 4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.468 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.468 | |
| 3lpb | NVB | Tyrosine-protein kinase JAK2 | / | 0.467 | |
| 3nga | 3NG | Casein kinase II subunit alpha | 2.7.11.1 | 0.467 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.467 | |
| 3a3b | RBF | Lumazine protein | / | 0.466 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.464 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.464 | |
| 1y4l | SVR | Basic phospholipase A2 homolog 2 | / | 0.464 | |
| 3t8v | BTJ | M1 family aminopeptidase | 3.4.11 | 0.464 | |
| 3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.463 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.463 | |
| 4fhj | 0TZ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.463 | |
| 4e2b | FMN | Dehydrogenase | / | 0.461 | |
| 4fhk | 0U0 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.461 | |
| 4gub | 0Y4 | Casein kinase II subunit alpha | 2.7.11.1 | 0.461 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.461 | |
| 2ejz | SAH | Diphthine synthase | / | 0.460 | |
| 3rvg | 17P | Tyrosine-protein kinase JAK2 | / | 0.460 | |
| 4mv4 | ACP | Biotin carboxylase | 6.3.4.14 | 0.460 | |
| 2xs0 | ANP | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.459 | |
| 1f4f | TP3 | Thymidylate synthase | / | 0.458 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.458 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3owk | 18E | Casein kinase II subunit alpha | 2.7.11.1 | 0.458 | |
| 4bwx | AGS | PAB-dependent poly(A)-specific ribonuclease subunit pan3 | / | 0.458 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.457 | |
| 5cyo | GDP | Septin-9 | / | 0.457 | |
| 2np8 | CC3 | Aurora kinase A | 2.7.11.1 | 0.456 | |
| 4fi1 | ATP | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.456 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.455 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.455 | |
| 2vr1 | ATF | Biotin carboxylase | 6.3.4.14 | 0.455 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 3r04 | UNQ | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.455 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.454 | |
| 2cdu | ADP | NADH oxidase | / | 0.454 | |
| 4b4d | FAD | Ferredoxin-NADP reductase | / | 0.454 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.454 | |
| 4ijp | 1EH | Serine/threonine-protein kinase PRP4 homolog | 2.7.11.1 | 0.454 | |
| 1q5k | TMU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.453 | |
| 2v7q | ATP | ATP synthase subunit alpha, mitochondrial | / | 0.453 | |
| 2v7q | ATP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.453 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.453 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.453 | |
| 4k5p | 1OS | M1 family aminopeptidase | 3.4.11 | 0.453 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.453 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.452 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.452 | |
| 2r2n | KYN | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.452 | |
| 2v59 | LZK | Biotin carboxylase | 6.3.4.14 | 0.452 | |
| 3dey | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.452 | |
| 3klm | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.452 | |
| 3ofm | 4B0 | Casein kinase II subunit alpha' | 2.7.11.1 | 0.452 | |
| 1a59 | COA | 2-methylcitrate synthase | / | 0.451 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.451 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.451 | |
| 3qx2 | X63 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
| 4bzn | UGX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.451 | |
| 4gb9 | 0WR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.451 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 2i0y | 5CN | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.450 | |
| 2j8z | NAP | Quinone oxidoreductase PIG3 | 1 | 0.450 | |
| 2w6z | L21 | Biotin carboxylase | 6.3.4.14 | 0.450 | |
| 3q9w | EMO | Casein kinase II subunit alpha | 2.7.11.1 | 0.450 | |
| 3r7e | X88 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 4g73 | NAI | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.450 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.450 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.449 | |
| 1eh4 | IC1 | Casein kinase I homolog 1 | 2.7.11.1 | 0.449 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.449 | |
| 2x9d | ITC | Tetracycline repressor protein class D | / | 0.449 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.449 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
| 4a87 | NAR | Major pollen allergen Bet v 1-A | / | 0.449 | |
| 5irn | ADP | Nucleotide binding oligomerization domain containing 2 | / | 0.449 | |
| 1c0l | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.448 | |
| 2b7a | IZA | Tyrosine-protein kinase JAK2 | / | 0.448 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.448 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.448 | |
| 3mdm | FJZ | Cholesterol 24-hydroxylase | / | 0.448 | |
| 4gj3 | 0XP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.448 | |
| 4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.448 | |
| 5itz | LOC | Tubulin beta-2B chain | / | 0.448 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.447 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2xb5 | I7T | Tetracycline repressor protein class D | / | 0.447 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.447 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1tdu | DUR | Thymidylate synthase | / | 0.446 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.446 | |
| 2clq | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.446 | |
| 2op1 | 8PC | Enoyl-ACP reductase | / | 0.446 | |
| 2xiy | XIY | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.446 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3zmm | F9J | Tyrosine-protein kinase JAK2 | / | 0.446 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.446 | |
| 4ix5 | ANP | Uncharacterized protein | / | 0.446 | |
| 4nu5 | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.446 | |
| 4oav | ACP | 2-5A-dependent ribonuclease | 3.1.26 | 0.446 | |
| 5a9s | NAP | Putative dehydrogenase | / | 0.446 | |
| 5fwn | NAP | Putative dehydrogenase | / | 0.446 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 2yyy | NAP | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.59 | 0.445 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.445 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3u9e | COA | Lmo1369 protein | / | 0.445 | |
| 3zon | IK1 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.445 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4gkm | 683 | Anthranilate phosphoribosyltransferase | / | 0.445 | |
| 4qzu | RTL | Retinol-binding protein 2 | / | 0.445 | |
| 4r8q | ADP | Mitotic checkpoint serine/threonine-protein kinase BUB1 | 2.7.11.1 | 0.445 | |
| 4rra | A3T | Probable threonine--tRNA ligase 2 | 6.1.1.3 | 0.445 | |
| 1m75 | CAA | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 1ppj | ANY | Cytochrome b | / | 0.444 | |
| 2ay3 | MPP | Aromatic-amino-acid aminotransferase | 2.6.1.57 | 0.444 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.444 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 4c02 | TAK | Activin receptor type-1 | 2.7.11.30 | 0.444 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.444 | |
| 4z5w | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.444 | |
| 5itz | GTP | Tubulin alpha-1B chain | / | 0.444 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.443 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 1t87 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 2an9 | GDP | Guanylate kinase | 2.7.4.8 | 0.443 | |
| 3b9l | AZZ | Serum albumin | / | 0.443 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.443 | |
| 3sqz | COA | Putative hydroxymethylglutaryl-CoA synthase | / | 0.443 | |
| 3uim | ANP | BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1 | 2.7.10.1 | 0.443 | |
| 4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4btj | ADP | Tau-tubulin kinase 1 | 2.7.11.1 | 0.443 | |
| 4euf | NAD | Trans-2-enoyl-CoA reductase [NADH] | / | 0.443 | |
| 4ibm | IR1 | Insulin receptor | 2.7.10.1 | 0.443 | |
| 4wh2 | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.443 | |
| 5drd | ATP | Aurora kinase A | 2.7.11.1 | 0.443 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 1q8y | ADP | Serine/threonine-protein kinase SKY1 | 2.7.11.1 | 0.442 | |
| 1siq | FAD | Glutaryl-CoA dehydrogenase, mitochondrial | 1.3.8.6 | 0.442 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.442 | |
| 1upc | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.442 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.442 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 | 0.442 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.442 | |
| 3jzf | JZK | Biotin carboxylase | 6.3.4.14 | 0.442 | |
| 3l1s | Z92 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.442 | |
| 3mkn | DNB | Pyrimidine-specific ribonucleoside hydrolase RihB | / | 0.442 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.442 | |
| 4dij | BLF | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.442 | |
| 4g9k | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.442 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.442 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 1db4 | 8IN | Phospholipase A2, membrane associated | / | 0.441 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.441 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 1zp9 | ATP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.441 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.441 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.441 | |
| 3qu0 | X40 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 3w8q | AGS | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.441 | |
| 4h8a | NAI | Ureidoglycolate dehydrogenase (NAD(+)) | 1.1.1.350 | 0.441 | |
| 4hvh | 19R | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.441 | |
| 4qem | HC4 | Phospholipase A2 VRV-PL-VIIIa | / | 0.441 | |
| 1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.440 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.440 | |
| 2eka | SAH | Diphthine synthase | / | 0.440 | |
| 2pzi | AXX | Serine/threonine-protein kinase PknG | 2.7.11.1 | 0.440 | |
| 2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.440 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3fz1 | B98 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3q9z | TXQ | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 | |
| 4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.440 |