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 |
|---|---|---|---|
| 3mpt | 1GK | Mitogen-activated protein kinase 14 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3mpt | 1GK | Mitogen-activated protein kinase 14 | / | 1.000 | |
| 3iph | G11 | Mitogen-activated protein kinase 14 | / | 0.676 | |
| 4kin | 1M8 | Mitogen-activated protein kinase 14 | / | 0.599 | |
| 4aa5 | NQB | Mitogen-activated protein kinase 14 | / | 0.596 | |
| 3fln | 3FN | Mitogen-activated protein kinase 14 | / | 0.594 | |
| 3fkl | FKL | Mitogen-activated protein kinase 14 | / | 0.590 | |
| 2bal | PQA | Mitogen-activated protein kinase 14 | / | 0.585 | |
| 2rg6 | 287 | Mitogen-activated protein kinase 14 | / | 0.583 | |
| 3fly | FLY | Mitogen-activated protein kinase 14 | / | 0.576 | |
| 3fsk | RO6 | Mitogen-activated protein kinase 14 | / | 0.569 | |
| 4aac | AAV | Mitogen-activated protein kinase 14 | / | 0.566 | |
| 4kiq | 1RA | Mitogen-activated protein kinase 14 | / | 0.566 | |
| 2rg5 | 279 | Mitogen-activated protein kinase 14 | / | 0.559 | |
| 3flz | FLZ | Mitogen-activated protein kinase 14 | / | 0.557 | |
| 3dt1 | P40 | Mitogen-activated protein kinase 14 | / | 0.556 | |
| 3fmh | 533 | Mitogen-activated protein kinase 14 | / | 0.556 | |
| 3s4q | NK0 | Mitogen-activated protein kinase 14 | / | 0.556 | |
| 4kip | 1R9 | Mitogen-activated protein kinase 14 | / | 0.556 | |
| 4aa4 | QC0 | Mitogen-activated protein kinase 14 | / | 0.552 | |
| 3nww | 3NW | Mitogen-activated protein kinase 14 | / | 0.546 | |
| 3l8x | N4D | Mitogen-activated protein kinase 14 | / | 0.544 | |
| 3hl7 | I47 | Mitogen-activated protein kinase 14 | / | 0.543 | |
| 3fi4 | FI4 | Mitogen-activated protein kinase 14 | / | 0.540 | |
| 3ocg | OCG | Mitogen-activated protein kinase 14 | / | 0.539 | |
| 4lop | SB4 | Mitogen-activated protein kinase 14 | / | 0.539 | |
| 2ghl | LIB | Mitogen-activated protein kinase 14 | / | 0.515 | |
| 3b8r | 887 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.512 | |
| 3flw | FLW | Mitogen-activated protein kinase 14 | / | 0.511 | |
| 3mvm | 39P | Mitogen-activated protein kinase 14 | / | 0.507 | |
| 2qd9 | LGF | Mitogen-activated protein kinase 14 | / | 0.504 | |
| 1zz2 | B11 | Mitogen-activated protein kinase 14 | / | 0.501 | |
| 2zaz | GK1 | Mitogen-activated protein kinase 14 | / | 0.499 | |
| 2zb1 | GK4 | Mitogen-activated protein kinase 14 | / | 0.499 | |
| 3gfe | P37 | Mitogen-activated protein kinase 14 | / | 0.499 | |
| 2zb0 | GK3 | Mitogen-activated protein kinase 14 | / | 0.495 | |
| 3d7z | GK5 | Mitogen-activated protein kinase 14 | / | 0.494 | |
| 3hvc | GG5 | Mitogen-activated protein kinase 14 | / | 0.493 | |
| 1y57 | MPZ | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.490 | |
| 3vjo | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.488 | |
| 4loo | SB4 | Mitogen-activated protein kinase 14 | / | 0.488 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.487 | |
| 3bv2 | P38 | Mitogen-activated protein kinase 14 | / | 0.486 | |
| 3fmk | FMK | Mitogen-activated protein kinase 14 | / | 0.485 | |
| 1ywn | LIF | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.484 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.483 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.476 | |
| 3bv3 | P39 | Mitogen-activated protein kinase 14 | / | 0.476 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.476 | |
| 1ouk | 084 | Mitogen-activated protein kinase 14 | / | 0.473 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3gbu | ATP | Uncharacterized sugar kinase PH1459 | 2.7.1 | 0.472 | |
| 1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.471 | |
| 1zyj | BI5 | Mitogen-activated protein kinase 14 | / | 0.470 | |
| 4eh6 | 0ON | Mitogen-activated protein kinase 14 | / | 0.469 | |
| 1agw | SU2 | Fibroblast growth factor receptor 1 | / | 0.468 | |
| 2nni | MTK | Cytochrome P450 2C8 | / | 0.468 | |
| 2p2h | 994 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.467 | |
| 3b2w | 9NH | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.467 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.467 | |
| 3t2v | KKJ | Peptidoglycan recognition protein 1 | / | 0.467 | |
| 2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.465 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.464 | |
| 3itz | P66 | Mitogen-activated protein kinase 14 | / | 0.464 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.463 | |
| 3au8 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic | 1.1.1.267 | 0.463 | |
| 3uvq | FS8 | Mitogen-activated protein kinase 14 | / | 0.463 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.463 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.462 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.462 | |
| 4i23 | 1C9 | Epidermal growth factor receptor | 2.7.10.1 | 0.462 | |
| 3uyt | 0CK | Casein kinase I isoform delta | 2.7.11.1 | 0.461 | |
| 3ac2 | KSE | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.460 | |
| 2brg | DFY | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 2oc4 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.459 | |
| 3e92 | G6A | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.458 | |
| 1h73 | ANP | Homoserine kinase | 2.7.1.39 | 0.457 | |
| 2bri | ANP | Uridylate kinase | 2.7.4.22 | 0.457 | |
| 3lcd | BDY | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.457 | |
| 4loq | SB4 | Mitogen-activated protein kinase 14 | / | 0.457 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.456 | |
| 1zrz | BI1 | Protein kinase C iota type | 2.7.11.13 | 0.455 | |
| 2a7r | 5GP | GMP reductase 2 | / | 0.455 | |
| 2itw | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.455 | |
| 2itx | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.455 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.453 | |
| 3h3c | P1E | Protein-tyrosine kinase 2-beta | 2.7.10.2 | 0.453 | |
| 4dgg | I76 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.453 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.453 | |
| 1qpd | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.452 | |
| 2ab8 | MTP | Adenosine kinase | 2.7.1.20 | 0.452 | |
| 3e8n | VRA | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.452 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2rlc | CHD | Choloylglycine hydrolase | 3.5.1.24 | 0.451 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4wda | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.451 | |
| 2cib | CM6 | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.450 | |
| 2e9u | A25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.450 | |
| 4c6u | TLG | 3-oxoacyl-ACP synthase | / | 0.450 | |
| 4qmw | KS1 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.450 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.449 | |
| 1kvu | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.449 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.449 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.449 | |
| 1ezv | UQ6 | Cytochrome b | / | 0.448 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 2eb3 | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.448 | |
| 3fp0 | FP0 | 15-O-acetyltransferase | / | 0.448 | |
| 4wqm | FAD | Toluene-4-monooxygenase electron transfer component | 1.18.1.3 | 0.448 | |
| 1rw8 | 580 | TGF-beta receptor type-1 | 2.7.11.30 | 0.447 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.447 | |
| 2x8h | FAD | Thioredoxin glutathione reductase | / | 0.447 | |
| 3ac3 | KSH | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.447 | |
| 4a80 | 2AN | Major pollen allergen Bet v 1-A | / | 0.447 | |
| 4eu9 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.447 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.447 | |
| 4jq7 | KJQ | Epidermal growth factor receptor | 2.7.10.1 | 0.447 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.447 | |
| 4xli | 1N1 | Abelson tyrosine-protein kinase 2 | 2.7.10.2 | 0.447 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.446 | |
| 2of2 | 547 | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.446 | |
| 3bbt | FMM | Receptor tyrosine-protein kinase erbB-4 | 2.7.10.1 | 0.446 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.446 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.446 | |
| 4xr9 | NAD | CalS8 | / | 0.446 | |
| 2bxo | OPB | Serum albumin | / | 0.445 | |
| 2ozu | ACO | Histone acetyltransferase KAT6A | / | 0.445 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.445 | |
| 3el8 | PD5 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.445 | |
| 4fv7 | E94 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.445 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.445 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1osv | CHC | Bile acid receptor | / | 0.444 | |
| 2clq | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.444 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
| 3ac1 | KZI | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.444 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.444 | |
| 4a86 | H35 | Major pollen allergen Bet v 1-A | / | 0.444 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.444 | |
| 4jr3 | KJR | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 1qpe | PP2 | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.443 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1trg | CB3 | Thymidylate synthase | / | 0.443 | |
| 1ywr | LI9 | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 2ien | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 2ym8 | YM8 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 2yyu | C5P | Orotidine 5'-phosphate decarboxylase | / | 0.443 | |
| 3tuc | FPW | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.443 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.443 | |
| 4d9t | 0JG | Ribosomal protein S6 kinase alpha-3 | 2.7.11.1 | 0.443 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 4k28 | NAD | Shikimate dehydrogenase family protein | / | 0.443 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 4rww | 2BA | Lmo2692 protein | / | 0.443 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 1rrm | APR | Lactaldehyde reductase | 1.1.1.77 | 0.442 | |
| 3gob | HXX | DdmC | / | 0.442 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.442 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.442 | |
| 4otw | DB8 | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.442 | |
| 4prv | ADP | DNA gyrase subunit B | / | 0.442 | |
| 1di9 | MSQ | Mitogen-activated protein kinase 14 | / | 0.441 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.441 | |
| 2gfs | PQB | Mitogen-activated protein kinase 14 | / | 0.441 | |
| 2oeg | UPG | UDP-glucose pyrophosphorylase | / | 0.441 | |
| 2zva | 1N1 | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.441 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 4e5p | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.441 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
| 4jq8 | KJ8 | Epidermal growth factor receptor | 2.7.10.1 | 0.441 | |
| 5dhh | DGW | Nociceptin receptor | / | 0.441 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.440 | |
| 1me8 | RVP | Inosine-5'-monophosphate dehydrogenase | / | 0.440 | |
| 2itv | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.440 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.440 | |
| 2xf0 | 4UB | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 | |
| 2y3s | TIR | TamL | / | 0.440 | |
| 2zm1 | KSF | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.440 | |
| 3lzs | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.440 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.440 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.440 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.440 |