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 |
---|---|---|---|
5dgt | TZD | Benzoylformate decarboxylase | 4.1.1.7 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
5dgt | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 1.000 | |
2fwn | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.766 | |
4ju8 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.764 | |
4ju9 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.698 | |
1bfd | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.687 | |
4mq5 | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.671 | |
4qel | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.620 | |
4mzx | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.582 | |
4k9n | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.573 | |
4jd5 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.561 | |
4gm0 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.541 | |
1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.537 | |
4jub | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.532 | |
4gm1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.501 | |
3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.500 | |
2qs3 | UBE | Glutamate receptor ionotropic, kainate 1 | / | 0.496 | |
1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.489 | |
4k9p | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.485 | |
2g76 | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.484 | |
3ieu | GDP | GTPase Era | / | 0.484 | |
2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.478 | |
1la2 | NAD | Inositol-3-phosphate synthase | 5.5.1.4 | 0.476 | |
3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.476 | |
3owa | FAD | Acyl-CoA dehydrogenase | / | 0.473 | |
2giv | ACO | Histone acetyltransferase KAT8 | / | 0.467 | |
4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.467 | |
2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.466 | |
1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.465 | |
1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.464 | |
1zk7 | FAD | Mercuric reductase | 1.16.1.1 | 0.464 | |
1kqg | HQO | Formate dehydrogenase, nitrate-inducible, cytochrome b556(Fdn) subunit | / | 0.461 | |
4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
2vtb | FAD | Cryptochrome DASH, chloroplastic/mitochondrial | / | 0.460 | |
4iv6 | FDA | Isovaleryl-CoA dehydrogenase | / | 0.460 | |
2c1z | U2F | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.459 | |
2eba | FAD | Putative glutaryl-CoA dehydrogenase | / | 0.459 | |
4fhf | 0TT | Spore photoproduct lyase | / | 0.459 | |
1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.458 | |
1rx0 | FAD | Isobutyryl-CoA dehydrogenase, mitochondrial | 1.3.99 | 0.457 | |
1x1a | SAM | C-20 methyltransferase | / | 0.457 | |
2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.457 | |
3cty | FAD | Probable thioredoxin reductase | / | 0.457 | |
1po7 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.456 | |
2j3n | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.456 | |
4dyn | 0MR | Nucleoprotein | / | 0.456 | |
3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.455 | |
4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.455 | |
1k6v | XN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.453 | |
1kvu | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.453 | |
2qbm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.453 | |
4emd | C5P | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.453 | |
2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.452 | |
2wb2 | FAD | RE11660p | / | 0.451 | |
4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.451 | |
4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.451 | |
1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
3b70 | NAP | Enoyl reductase LovC | 1 | 0.450 | |
3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.450 | |
3ut5 | LOC | Tubulin beta chain | / | 0.450 | |
4ph9 | IBP | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.450 | |
2dft | ADP | Shikimate kinase | 2.7.1.71 | 0.449 | |
2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.449 | |
2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
2qbn | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.448 | |
3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.448 | |
3sx2 | NAD | Uncharacterized protein | / | 0.448 | |
5dbf | NDP | Iridoid synthase | 1.3.1.99 | 0.448 | |
5itz | GTP | Tubulin alpha-1B chain | / | 0.448 | |
5jsc | FAD | Putative acyl-CoA dehydrogenase | / | 0.448 | |
1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.447 | |
1t2a | NDP | GDP-mannose 4,6 dehydratase | 4.2.1.47 | 0.447 | |
3cin | NAD | Myo-inositol-1-phosphate synthase-related protein | / | 0.447 | |
2irz | I02 | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
2r26 | CMC | Citrate synthase | 2.3.3.16 | 0.446 | |
4fiz | CUE | 17beta-hydroxysteroid dehydrogenase | / | 0.446 | |
1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.445 | |
4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
1x1c | SAH | C-20 methyltransferase | / | 0.444 | |
2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.444 | |
2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.444 | |
2ylz | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.444 | |
3iqh | TYR_ASP_ILE | Cysteine synthase | 2.5.1.47 | 0.444 | |
4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.444 | |
1gzu | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 | 2.7.7.1 | 0.443 | |
1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.443 | |
1n7h | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.443 | |
1w4x | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.443 | |
2gh5 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.443 | |
3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.443 | |
3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.443 | |
4xr9 | NAD | CalS8 | / | 0.443 | |
1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
1ksz | PGS | Adenylosuccinate synthetase | / | 0.442 | |
1npd | NAD | Quinate/shikimate dehydrogenase | / | 0.442 | |
3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.442 | |
3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.442 | |
3vye | VYE | Renin | 3.4.23.15 | 0.442 | |
4bqt | C5E | Soluble acetylcholine receptor | / | 0.442 | |
4dld | TZG | Glutamate receptor ionotropic, kainate 1 | / | 0.442 | |
4wec | NAD | Short chain dehydrogenase | / | 0.442 | |
1cg3 | IMO | Adenylosuccinate synthetase | / | 0.441 | |
1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
1wn3 | HXC | Phenylacetic acid degradation protein PaaI | / | 0.441 | |
2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.441 | |
3ad9 | FAD | Subunit beta of sarcosine oxidase | / | 0.441 | |
3lqf | NAD | Galactitol dehydrogenase | / | 0.441 | |
3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.441 | |
4hmv | WUB | Phenazine biosynthesis protein PhzG | 1.4 | 0.441 | |
4l4x | NDP | AmphI | / | 0.441 | |
4rvd | SAM | D-mycarose 3-C-methyltransferase | / | 0.441 | |
1mja | COA | Histone acetyltransferase ESA1 | / | 0.440 | |
2ep7 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.440 | |
2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.440 | |
2j09 | FMN | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.440 | |
2ywl | FAD | Thioredoxin reductase related protein | / | 0.440 | |
2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
3zl8 | ADP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.440 | |
4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.440 | |
4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.440 | |
6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |