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 |
|---|---|---|---|
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3poz | 03P | Epidermal growth factor receptor | 2.7.10.1 | 1.000 | |
| 3w32 | W32 | Epidermal growth factor receptor | 2.7.10.1 | 0.666 | |
| 3w33 | W19 | Epidermal growth factor receptor | 2.7.10.1 | 0.653 | |
| 1xkk | FMM | Epidermal growth factor receptor | 2.7.10.1 | 0.602 | |
| 3w2s | W2R | Epidermal growth factor receptor | 2.7.10.1 | 0.570 | |
| 3vs3 | VSE | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.546 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.537 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.527 | |
| 4i22 | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.513 | |
| 2c0i | L1G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.510 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.510 | |
| 3vs0 | VS0 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.497 | |
| 3bbt | FMM | Receptor tyrosine-protein kinase erbB-4 | 2.7.10.1 | 0.496 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.495 | |
| 1ad5 | ANP | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.494 | |
| 3lmg | ANP | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.493 | |
| 3vs4 | VSF | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.493 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.485 | |
| 2c0t | L3G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.479 | |
| 2bdf | 24A | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.477 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.477 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.475 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.474 | |
| 3ogq | AB1 | Pol polyprotein | / | 0.472 | |
| 4hgs | 15G | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.472 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.471 | |
| 3vry | B43 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.470 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.470 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.469 | |
| 5br4 | NAD | Lactaldehyde reductase | 1.1.1.77 | 0.469 | |
| 3qlf | PD5 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.468 | |
| 2ivu | ZD6 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.467 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.467 | |
| 1e90 | MYC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.466 | |
| 1sn5 | T3 | Transthyretin | / | 0.466 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.466 | |
| 3sp9 | IL2 | Peroxisome proliferator-activated receptor delta | / | 0.466 | |
| 1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.464 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.464 | |
| 3vid | 4TT | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.464 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.463 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.463 | |
| 4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.463 | |
| 4m69 | ANP | Receptor-interacting serine/threonine-protein kinase 3 | 2.7.11.1 | 0.463 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.463 | |
| 3v8w | 0G2 | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.462 | |
| 2y3r | TRK | TamL | / | 0.460 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.460 | |
| 4anw | O92 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.460 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.459 | |
| 4id7 | 1G0 | Activated CDC42 kinase 1 | / | 0.458 | |
| 4nxu | ADP | Mitochondrial dynamics protein MID51 | / | 0.458 | |
| 3oro | AGS | Serine/threonine protein kinase | / | 0.457 | |
| 4riy | ANP | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.457 | |
| 4wkq | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.457 | |
| 3ctj | 320 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.456 | |
| 3ncg | BK1 | Calmodulin-domain protein kinase 1, putative | / | 0.456 | |
| 3oev | 3OE | Proteasome subunit beta type-5 | 3.4.25.1 | 0.456 | |
| 3oev | 3OE | Proteasome subunit beta type-6 | 3.4.25.1 | 0.456 | |
| 4k2x | FAD | Polyketide oxygenase/hydroxylase | / | 0.456 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.456 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.455 | |
| 4fl3 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.455 | |
| 1tw4 | CHD | Fatty acid-binding protein, liver | / | 0.454 | |
| 1u54 | ACP | Activated CDC42 kinase 1 | / | 0.454 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.454 | |
| 4ylf | FAD | Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog | / | 0.454 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.453 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.453 | |
| 4bdg | P3J | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.453 | |
| 4hjo | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.453 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.453 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.452 | |
| 4a28 | ADP | Kinesin-like protein KIF11 | / | 0.452 | |
| 4aw3 | MYV | Mycinamicin IV hydroxylase/epoxidase | / | 0.452 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4riy | ADP | Epidermal growth factor receptor | 2.7.10.1 | 0.452 | |
| 1ie8 | KH1 | Vitamin D3 receptor | / | 0.451 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.451 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.450 | |
| 4a4v | YFD | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.450 | |
| 4y93 | 746 | Tyrosine-protein kinase | / | 0.450 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.449 | |
| 1tz8 | DES | Transthyretin | / | 0.449 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 2yit | YIT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.449 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 3k4n | FAD | Pyranose 2-oxidase | / | 0.449 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.449 | |
| 4o2b | LOC | Tubulin beta-2B chain | / | 0.449 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.449 | |
| 2om9 | AJA | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 3orm | AGS | Serine/threonine protein kinase | / | 0.448 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.448 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.448 | |
| 4xgx | ADP | FAD:protein FMN transferase | / | 0.448 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 1s0z | EB1 | Vitamin D3 receptor | / | 0.447 | |
| 2gcd | STU | Serine/threonine-protein kinase TAO2 | 2.7.11.1 | 0.447 | |
| 2w0j | ZAT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.447 | |
| 3hv5 | R24 | Mitogen-activated protein kinase 14 | / | 0.447 | |
| 3zuy | TCH | Transporter | / | 0.447 | |
| 4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.447 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 4nka | 2K7 | Fibroblast growth factor receptor 1 | / | 0.447 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.446 | |
| 2ca0 | PXI | Cytochrome P450 monooxygenase PikC | / | 0.446 | |
| 2j5x | GSP | ADP-ribosylation factor 6 | / | 0.446 | |
| 3icr | FAD | Coenzyme A disulfide reductase | / | 0.446 | |
| 3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.446 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4y95 | 746 | Tyrosine-protein kinase | / | 0.446 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.445 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 2q5p | 241 | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 4e4q | RRH | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.445 | |
| 4jaz | STL | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 1i7g | AZ2 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 1zar | ADP | RIO-type serine/threonine-protein kinase Rio2 | 2.7.11.1 | 0.444 | |
| 2c0o | L2G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.444 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.444 | |
| 2fzk | CTP | Aspartate carbamoyltransferase regulatory chain | / | 0.444 | |
| 3a4o | STU | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.444 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.444 | |
| 3w0y | DS4 | Vitamin D3 receptor | / | 0.444 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.444 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.444 | |
| 4jay | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.444 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 4wq4 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.444 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.444 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.443 | |
| 2j7t | 274 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.443 | |
| 2p4y | C03 | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 2pob | GW4 | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.443 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 3ics | ADP | Coenzyme A disulfide reductase | / | 0.443 | |
| 3klj | FAD | NADH-rubredoxin oxidoreductase | 1.18.1.1 | 0.443 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.443 | |
| 4ien | COA | Putative acyl-CoA hydrolase | / | 0.443 | |
| 1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.442 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.442 | |
| 1zhw | HC2 | Oxysterol-binding protein homolog 4 | / | 0.442 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.442 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.442 | |
| 2yfe | YFE | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3b8r | 887 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.442 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.442 | |
| 3ori | AGS | Serine/threonine protein kinase | / | 0.442 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.442 | |
| 3w5r | LOA | Vitamin D3 receptor | / | 0.442 | |
| 4h4q | FAD | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.442 | |
| 4m11 | MXM | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.442 | |
| 4otw | DB8 | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.442 | |
| 5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.442 | |
| 1rv1 | IMZ | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.441 | |
| 2izr | BRK | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.441 | |
| 2yyl | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.441 | |
| 3v9v | 21L | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 3zly | YSO | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.441 | |
| 4b7s | QLE | Cytochrome P450 monooxygenase PikC | / | 0.441 | |
| 4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.441 | |
| 4kwi | 1TJ | Reductase homolog | / | 0.441 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 5fkm | TDC | Tetracycline repressor protein class D | / | 0.441 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1h7w | FAD | Dihydropyrimidine dehydrogenase [NADP(+)] | 1.3.1.2 | 0.440 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 2har | OCC | Vitamin D3 receptor | / | 0.440 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 | |
| 2w1f | L0F | Aurora kinase A | 2.7.11.1 | 0.440 | |
| 3nbz | GTP | GTP-binding nuclear protein Ran | / | 0.440 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.440 | |
| 3r9o | Z71 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3v9y | 24L | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3zux | TCH | Transporter | / | 0.440 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 4g48 | PZB | Mycocyclosin synthase | 1.14.21.9 | 0.440 |