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 |
---|---|---|---|
4ise | 1FW | Glucokinase | 2.7.1.2 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4ise | 1FW | Glucokinase | 2.7.1.2 | 1.000 | |
4isg | 1FY | Glucokinase | 2.7.1.2 | 0.642 | |
4isf | 1FX | Glucokinase | 2.7.1.2 | 0.619 | |
4dch | 4DC | Glucokinase | 2.7.1.2 | 0.601 | |
4dhy | S41 | Glucokinase | 2.7.1.2 | 0.534 | |
4mle | VO1 | Glucokinase | 2.7.1.2 | 0.533 | |
3h1v | TK1 | Glucokinase | 2.7.1.2 | 0.518 | |
3a0i | AJI | Glucokinase | 2.7.1.2 | 0.517 | |
3imx | B84 | Glucokinase | 2.7.1.2 | 0.508 | |
3vev | 0H4 | Glucokinase | 2.7.1.2 | 0.504 | |
3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.494 | |
3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.490 | |
1z6t | ADP | Apoptotic protease-activating factor 1 | / | 0.486 | |
1fml | RTL | Retinol dehydratase | / | 0.485 | |
2aou | CQA | Histamine N-methyltransferase | 2.1.1.8 | 0.485 | |
3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.485 | |
4euf | NAD | Trans-2-enoyl-CoA reductase [NADH] | / | 0.481 | |
1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.480 | |
2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.480 | |
1dnp | MHF | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.479 | |
2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.474 | |
3pm1 | ET | HTH-type transcriptional regulator QacR | / | 0.474 | |
4ixc | 1JD | Glucokinase | 2.7.1.2 | 0.473 | |
1a5b | IGP | Tryptophan synthase alpha chain | / | 0.470 | |
2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.470 | |
4mlh | VO2 | Glucokinase | 2.7.1.2 | 0.470 | |
3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.469 | |
3vey | 0H5 | Glucokinase | 2.7.1.2 | 0.469 | |
4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.468 | |
2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.466 | |
4iwv | 1J9 | Glucokinase | 2.7.1.2 | 0.466 | |
1rdt | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.465 | |
3id8 | MRK | Glucokinase | 2.7.1.2 | 0.464 | |
4v2g | ITC | Tetracycline repressor protein class D | / | 0.464 | |
4y9u | NAP | NADPH--cytochrome P450 reductase | / | 0.464 | |
1x8l | OXR | Retinol dehydratase | / | 0.463 | |
2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
3s41 | S41 | Glucokinase | 2.7.1.2 | 0.463 | |
4nbb | 9CA | Terminal oxygenase component of carbazole | / | 0.463 | |
3a1c | ACP | Probable copper-exporting P-type ATPase A | 3.6.3.54 | 0.462 | |
3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.462 | |
4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.460 | |
1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.458 | |
1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.458 | |
3c1o | NAP | Eugenol synthase | / | 0.458 | |
3l6j | Z90 | Alr2278 protein | / | 0.458 | |
3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.457 | |
3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.456 | |
3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.456 | |
1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
1fx9 | MJI | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.455 | |
1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.455 | |
2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.455 | |
3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.455 | |
3g5h | YTT | Mycocyclosin synthase | 1.14.21.9 | 0.455 | |
3phj | DHK | Shikimate dehydrogenase (NADP(+)) | / | 0.455 | |
4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.455 | |
4k2x | FAD | Polyketide oxygenase/hydroxylase | / | 0.455 | |
4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.454 | |
2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.453 | |
3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
4iae | 1DX | Alr2278 protein | / | 0.453 | |
1fmj | RTL | Retinol dehydratase | / | 0.452 | |
2jbs | FMN | p-hydroxyphenylacetate 3-hydroxylase, oxygenase component | / | 0.452 | |
3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
3pn1 | IVH | DNA ligase | / | 0.452 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.452 | |
4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.452 | |
4l3q | 926 | Glucokinase | 2.7.1.2 | 0.452 | |
5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.451 | |
2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.451 | |
2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.451 | |
2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.451 | |
3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
3dys | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.451 | |
3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
4iah | 1DX | Alr2278 protein | / | 0.451 | |
1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
3lxi | CAM | Cytochrome P450 | / | 0.450 | |
4eph | 0RK | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.450 | |
4g2l | 0WL | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.450 | |
1kzj | CB3 | Thymidylate synthase | / | 0.449 | |
1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
3h2s | NDP | Putative NADH-flavin reductase | / | 0.449 | |
3jun | AKD | Phenazine biosynthesis protein A/B | / | 0.449 | |
3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.449 | |
4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.449 | |
1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.448 | |
1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.448 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.448 | |
2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
3n39 | FMN | Protein NrdI | / | 0.448 | |
4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.448 | |
4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.448 | |
4b67 | NAP | L-ornithine N(5)-monooxygenase | / | 0.448 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.448 | |
4eu4 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.448 | |
4k9o | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.448 | |
4yau | 2AM | NADPH--cytochrome P450 reductase | / | 0.448 | |
2vtd | LKM | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.447 | |
2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.447 | |
3jyp | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.447 | |
4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.447 | |
4ktl | 1CQ | Cytochrome P450 | / | 0.447 | |
1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.446 | |
3b9o | FMN | Alkane monoxygenase | / | 0.446 | |
3br3 | ET | HTH-type transcriptional regulator QacR | / | 0.446 | |
3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.446 | |
3g1r | FIT | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
3sl2 | ATP | Sensor histidine kinase WalK | / | 0.446 | |
1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.445 | |
1qoq | IGP | Tryptophan synthase alpha chain | / | 0.445 | |
2uxu | NAR | HTH-type transcriptional regulator TtgR | / | 0.445 | |
3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.445 | |
3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.445 | |
1cjk | FOK | Adenylate cyclase type 2 | / | 0.444 | |
1cjk | FOK | Adenylate cyclase type 5 | / | 0.444 | |
1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.444 | |
2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.444 | |
3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.444 | |
3lkh | LT6 | Genome polyprotein | 2.7.7.48 | 0.444 | |
4bfy | ZVY | Pantothenate kinase | 2.7.1.33 | 0.444 | |
4fhf | 0TT | Spore photoproduct lyase | / | 0.444 | |
1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.443 | |
1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
2j2p | SC2 | Ficolin-2 | / | 0.443 | |
2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.443 | |
3i28 | 34N | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.443 | |
3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
3v1s | 0LH | Strictosidine synthase | 4.3.3.2 | 0.443 | |
3nya | JTZ | Beta-2 adrenergic receptor | / | 0.443 | |
1gj4 | 132 | Prothrombin | 3.4.21.5 | 0.442 | |
1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
2a5k | AZP | Replicase polyprotein 1ab | 3.4.22 | 0.442 | |
2pob | GW4 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.442 | |
2xiq | 5AD | Methylmalonyl-CoA mutase, mitochondrial | / | 0.442 | |
3ou2 | SAH | SAM-dependent methyltransferase | / | 0.442 | |
4g1z | 0VP | Vitamin D3 receptor A | / | 0.442 | |
4qnu | GEK | tRNA U34 carboxymethyltransferase | / | 0.442 | |
1aqu | EST | Estrogen sulfotransferase, testis isoform | 2.8.2.4 | 0.441 | |
1c7o | PPG | Hemolysin | / | 0.441 | |
1t7o | 152 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.441 | |
2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.441 | |
2ov2 | GCP | Ras-related C3 botulinum toxin substrate 3 | / | 0.441 | |
2wqp | WQP | Polysialic acid capsule biosynthesis protein SiaC | / | 0.441 | |
2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
4c3y | FAD | 3-ketosteroid dehydrogenase | / | 0.441 | |
4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
4req | 5AD | Methylmalonyl-CoA mutase large subunit | 5.4.99.2 | 0.441 | |
4y9r | NAP | NADPH--cytochrome P450 reductase | / | 0.441 | |
1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
2ij7 | TPF | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
2nr4 | FMN | Conserved protein | / | 0.440 | |
2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.440 | |
3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
3c15 | FOK | Adenylate cyclase type 2 | / | 0.440 | |
3c15 | FOK | Adenylate cyclase type 5 | / | 0.440 | |
3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.440 | |
4b66 | NAP | L-ornithine N(5)-monooxygenase | / | 0.440 | |
4ho6 | UTP | Glucose-1-phosphate thymidylyltransferase | / | 0.440 | |
4mr9 | 2BX | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.440 |