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 |
---|---|---|---|
4hxm | 1A8 | Bromodomain-containing protein 4 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4hxm | 1A8 | Bromodomain-containing protein 4 | / | 1.000 | |
4c67 | L5S | Bromodomain-containing protein 4 | / | 0.644 | |
4nr8 | 2LL | Bromodomain-containing protein 4 | / | 0.641 | |
4hxr | 1A4 | Bromodomain-containing protein 4 | / | 0.624 | |
4cfk | LY2 | Bromodomain-containing protein 4 | / | 0.617 | |
4gpj | 0Q1 | Bromodomain-containing protein 4 | / | 0.608 | |
4hbw | 14Z | Bromodomain-containing protein 4 | / | 0.554 | |
4mr4 | 1K0 | Bromodomain-containing protein 4 | / | 0.537 | |
4men | 25K | Bromodomain-containing protein 4 | / | 0.515 | |
5bt5 | 2LO | Bromodomain-containing protein 2 | / | 0.506 | |
4meo | 25V | Bromodomain-containing protein 4 | / | 0.500 | |
4alh | A9P | Bromodomain-containing protein 2 | / | 0.498 | |
4mq5 | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.497 | |
4akn | S5B | Bromodomain-containing protein 2 | / | 0.492 | |
2c1z | KMP | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.491 | |
4e96 | 0NS | Bromodomain-containing protein 4 | / | 0.490 | |
2c1z | U2F | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.486 | |
4j1p | 1K0 | Bromodomain-containing protein 2 | / | 0.484 | |
4o78 | SAV | Bromodomain-containing protein 4 | / | 0.484 | |
3svg | ODR | Bromodomain-containing protein 4 | / | 0.477 | |
4hxs | 1A3 | Bromodomain-containing protein 4 | / | 0.476 | |
4mep | 24Y | Bromodomain-containing protein 4 | / | 0.476 | |
1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.475 | |
4ju9 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.474 | |
1bws | NDP | GDP-L-fucose synthase | / | 0.472 | |
1cg4 | IMO | Adenylosuccinate synthetase | / | 0.472 | |
2p5u | NAD | UDP-glucose 4-epimerase | / | 0.471 | |
2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.470 | |
4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.470 | |
1rx6 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.469 | |
2lf1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
4ju8 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.467 | |
3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.466 | |
4nyw | 2O3 | CREB-binding protein | / | 0.465 | |
1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
2i4q | UA4 | Renin | 3.4.23.15 | 0.463 | |
3sig | AR6 | Uncharacterized protein | / | 0.463 | |
4meq | 25O | Bromodomain-containing protein 4 | / | 0.463 | |
4j0r | 1H2 | Bromodomain-containing protein 4 | / | 0.462 | |
4gah | 0ET | Acyl-coenzyme A thioesterase THEM4 | 3.1.2.2 | 0.460 | |
4mih | FAD | Pyranose 2-oxidase | 1.1.3.10 | 0.460 | |
1u8f | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.458 | |
2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
3t37 | FAD | Pyridoxine 4-oxidase | / | 0.458 | |
4hxn | 1A7 | Bromodomain-containing protein 4 | / | 0.458 | |
1rd4 | L08 | Integrin alpha-L | / | 0.457 | |
3lqf | NAD | Galactitol dehydrogenase | / | 0.457 | |
3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
4xd2 | NAI | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
1olm | VTQ | SEC14-like protein 2 | / | 0.456 | |
3ch6 | 311 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.456 | |
1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.455 | |
1rdt | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.455 | |
2cts | COA | Citrate synthase, mitochondrial | 2.3.3.1 | 0.455 | |
3v1y | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1, cytosolic | 1.2.1.12 | 0.455 | |
4alg | 1GH | Bromodomain-containing protein 2 | / | 0.455 | |
1dc6 | NAD | Glyceraldehyde-3-phosphate dehydrogenase A | / | 0.454 | |
1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.453 | |
1x7d | NAD | Putative ornithine cyclodeaminase | / | 0.453 | |
1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.453 | |
3ieu | GDP | GTPase Era | / | 0.453 | |
3sii | A1R | Uncharacterized protein | / | 0.453 | |
3uxe | 465 | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.453 | |
4hby | 13F | Bromodomain-containing protein 4 | / | 0.453 | |
4hxo | 1A6 | Bromodomain-containing protein 4 | / | 0.453 | |
1het | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
2y6q | I7T | TetX family tetracycline inactivation enzyme | / | 0.452 | |
4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.452 | |
4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.452 | |
5cdt | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.451 | |
2j5b | TYE | Tyrosine--tRNA ligase | 6.1.1.1 | 0.451 | |
3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
3opx | U5P | Suppressor of disruption of TFIIS | / | 0.451 | |
4a9l | P9L | Bromodomain-containing protein 4 | / | 0.451 | |
4cfl | 8DQ | Bromodomain-containing protein 4 | / | 0.451 | |
4fn4 | NAD | Short chain dehydrogenase | / | 0.451 | |
4z0h | NAD | Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic | 1.2.1.12 | 0.451 | |
1a27 | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
1dyh | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
1gve | NAP | Aflatoxin B1 aldehyde reductase member 3 | 1 | 0.450 | |
1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.450 | |
3oqf | S51 | Renin | 3.4.23.15 | 0.450 | |
3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.450 | |
4gyy | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.450 | |
4mzx | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.450 | |
4qel | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.450 | |
1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
1jzs | MRC | Isoleucine--tRNA ligase | 6.1.1.5 | 0.449 | |
2oiq | STI | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.449 | |
4bfy | ZVY | Pantothenate kinase | 2.7.1.33 | 0.449 | |
4elg | 52J | Dihydrofolate reductase | / | 0.449 | |
4m11 | MXM | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.449 | |
4q71 | FAD | Bifunctional protein PutA | / | 0.449 | |
5kj1 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
1bfd | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.448 | |
2rc6 | NAP | Ferredoxin--NADP reductase | / | 0.448 | |
2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.448 | |
2wp9 | CBE | Succinate dehydrogenase iron-sulfur subunit | 1.3.5.1 | 0.448 | |
2wp9 | CBE | Succinate dehydrogenase cytochrome b556 subunit | / | 0.448 | |
4o74 | R78 | Bromodomain-containing protein 4 | / | 0.448 | |
4zvl | FAD | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.448 | |
1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.447 | |
3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.447 | |
4hbm | 0Y7 | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.447 | |
4lr6 | 1XA | Bromodomain-containing protein 4 | / | 0.447 | |
1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.446 | |
1mr9 | ACO | Streptogramin A acetyltransferase | 2.3.1 | 0.446 | |
2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.446 | |
2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.446 | |
4ryv | ZEA | Protein LlR18A | / | 0.446 | |
4uyg | 73B | Bromodomain-containing protein 2 | / | 0.446 | |
5emh | NAP | Iridoid synthase | 1.3.1.99 | 0.446 | |
1heu | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.445 | |
2g1s | 4IG | Renin | 3.4.23.15 | 0.445 | |
2g2z | COZ | Malonyl CoA-acyl carrier protein transacylase | 2.3.1.39 | 0.445 | |
3m6i | NAD | L-arabinitol 4-dehydrogenase | 1.1.1.12 | 0.445 | |
3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
3wag | TYD | Glycosyltransferase | / | 0.445 | |
4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
4yuz | S4M | Spermidine synthase, putative | / | 0.445 | |
5c3j | UQ1 | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | / | 0.445 | |
5c3j | UQ1 | Succinate dehydrogenase cytochrome b560 | / | 0.445 | |
5hid | B1E | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.445 | |
1hf3 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.444 | |
2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.444 | |
2rew | REW | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
3gnc | QQQ | Glutaryl-CoA dehydrogenase | / | 0.444 | |
4ele | 31I | Dihydrofolate reductase | / | 0.444 | |
4iaw | LIZ | Neutrophil gelatinase-associated lipocalin | / | 0.444 | |
4umx | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.444 | |
4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
5cdt | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
1qmz | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
1tdu | DUR | Thymidylate synthase | / | 0.443 | |
2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.443 | |
2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.443 | |
2yel | WSH | Bromodomain-containing protein 4 | / | 0.443 | |
3eej | 53R | Uncharacterized protein | / | 0.443 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
4i9n | 1E5 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.443 | |
4mr6 | 1K0 | Bromodomain-containing protein 2 | / | 0.443 | |
1dfo | FFO | Serine hydroxymethyltransferase | 2.1.2.1 | 0.442 | |
1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
1rx0 | FAD | Isobutyryl-CoA dehydrogenase, mitochondrial | 1.3.99 | 0.442 | |
1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
1xuo | LA1 | Integrin alpha-L | / | 0.442 | |
3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.442 | |
3gry | SAM | Probable ribosomal RNA small subunit methyltransferase A | / | 0.442 | |
4z24 | FAD | Putative GMC-type oxidoreductase R135 | 1 | 0.442 | |
1bwk | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
1x1b | SAH | C-20 methyltransferase | / | 0.441 | |
2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
2fwn | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.441 | |
2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
3k9u | ACO | Spermidine N(1)-acetyltransferase | / | 0.441 | |
3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3vr8 | RQX | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | / | 0.441 | |
3vr8 | RQX | Cytochrome b-large subunit | / | 0.441 | |
3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.441 | |
4pkl | 1GH | Uncharacterized protein | / | 0.441 | |
4r8h | SP1 | cAMP-activated global transcriptional regulator CRP | / | 0.441 | |
5ej9 | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.441 | |
5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
1fdu | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
1hdo | NAP | Flavin reductase (NADPH) | / | 0.440 | |
1kqf | MGD | Formate dehydrogenase, nitrate-inducible, major subunit | 1.1.5.6 | 0.440 | |
2ijg | FAD | Cryptochrome DASH, chloroplastic/mitochondrial | / | 0.440 | |
3lj3 | WYE | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.440 | |
3wle | NAD | (R)-specific carbonyl reductase | / | 0.440 | |
3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
6cts | CIC | Citrate synthase, mitochondrial | 2.3.3.1 | 0.440 |