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 |
|---|---|---|---|
| 4nr8 | 2LL | Bromodomain-containing protein 4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4nr8 | 2LL | Bromodomain-containing protein 4 | / | 1.000 | |
| 4c67 | L5S | Bromodomain-containing protein 4 | / | 0.600 | |
| 4hxm | 1A8 | Bromodomain-containing protein 4 | / | 0.592 | |
| 4cfk | LY2 | Bromodomain-containing protein 4 | / | 0.582 | |
| 4hxr | 1A4 | Bromodomain-containing protein 4 | / | 0.581 | |
| 4gpj | 0Q1 | Bromodomain-containing protein 4 | / | 0.565 | |
| 4lyw | 21Q | Bromodomain-containing protein 4 | / | 0.538 | |
| 4hbw | 14Z | Bromodomain-containing protein 4 | / | 0.537 | |
| 5bt5 | 2LO | Bromodomain-containing protein 2 | / | 0.536 | |
| 4nyw | 2O3 | CREB-binding protein | / | 0.510 | |
| 4alg | 1GH | Bromodomain-containing protein 2 | / | 0.508 | |
| 4j1p | 1K0 | Bromodomain-containing protein 2 | / | 0.498 | |
| 4py6 | R78 | Bromodomain protein, putative | / | 0.498 | |
| 4a9i | P9I | Bromodomain-containing protein 2 | / | 0.496 | |
| 4alh | A9P | Bromodomain-containing protein 2 | / | 0.496 | |
| 1heu | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.489 | |
| 4bw3 | 9BM | Bromodomain-containing protein 4 | / | 0.485 | |
| 3ffi | 3OB | Gag-Pol polyprotein | 2.7.7.49 | 0.480 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.479 | |
| 3svg | ODR | Bromodomain-containing protein 4 | / | 0.478 | |
| 3aqa | BYH | Bromodomain-containing protein 2 | / | 0.477 | |
| 1tj0 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.476 | |
| 4hby | 13F | Bromodomain-containing protein 4 | / | 0.476 | |
| 4ir5 | IR5 | Bromodomain adjacent to zinc finger domain protein 2B | / | 0.473 | |
| 3zyu | 1GH | Bromodomain-containing protein 4 | / | 0.472 | |
| 4nqm | Y1Z | Bromodomain-containing protein 4 | / | 0.472 | |
| 4meo | 25V | Bromodomain-containing protein 4 | / | 0.471 | |
| 2rew | REW | Peroxisome proliferator-activated receptor alpha | / | 0.470 | |
| 4e96 | 0NS | Bromodomain-containing protein 4 | / | 0.470 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.469 | |
| 4bjx | 73B | Bromodomain-containing protein 4 | / | 0.468 | |
| 4pkl | 1GH | Uncharacterized protein | / | 0.467 | |
| 3uvq | FS8 | Mitogen-activated protein kinase 14 | / | 0.466 | |
| 4j0s | 1H3 | Bromodomain-containing protein 4 | / | 0.466 | |
| 5kj6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.465 | |
| 3stv | 3HO | Methylketone synthase I | / | 0.463 | |
| 4bw1 | S5B | Bromodomain-containing protein 4 | / | 0.463 | |
| 4men | 25K | Bromodomain-containing protein 4 | / | 0.462 | |
| 4a9l | P9L | Bromodomain-containing protein 4 | / | 0.461 | |
| 4ia2 | BIV | Vitamin D3 receptor A | / | 0.461 | |
| 5cdg | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.460 | |
| 1q0q | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.459 | |
| 2dbr | NAP | Glyoxylate reductase | 1.1.1.26 | 0.459 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.459 | |
| 4o74 | R78 | Bromodomain-containing protein 4 | / | 0.459 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.458 | |
| 2q61 | SF1 | Peroxisome proliferator-activated receptor gamma | / | 0.457 | |
| 2w98 | P1Z | Prostaglandin reductase 2 | 1.3.1.48 | 0.457 | |
| 4ogi | R78 | Bromodomain-containing protein 4 | / | 0.457 | |
| 4uyg | 73B | Bromodomain-containing protein 2 | / | 0.457 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.457 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.455 | |
| 4bw4 | 9B6 | Bromodomain-containing protein 4 | / | 0.455 | |
| 4lrg | 1XB | Bromodomain-containing protein 4 | / | 0.455 | |
| 5dfc | EAM | Bromodomain-containing protein 2 | / | 0.455 | |
| 4a9n | A9N | Bromodomain-containing protein 2 | / | 0.454 | |
| 4hxs | 1A3 | Bromodomain-containing protein 4 | / | 0.454 | |
| 4mr4 | 1K0 | Bromodomain-containing protein 4 | / | 0.454 | |
| 4xxv | NAD | 3-isopropylmalate dehydrogenase | / | 0.454 | |
| 5itz | LOC | Tubulin beta-2B chain | / | 0.454 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.453 | |
| 1wyg | FAD | Xanthine dehydrogenase/oxidase | / | 0.452 | |
| 2lf1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4a9o | A9O | Bromodomain-containing protein 2 | / | 0.452 | |
| 3oq6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.451 | |
| 4mr5 | 1K0 | Bromodomain-containing protein 2 | / | 0.451 | |
| 5cdt | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.451 | |
| 1i7i | AZ2 | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 3wle | NAD | (R)-specific carbonyl reductase | / | 0.450 | |
| 4mep | 24Y | Bromodomain-containing protein 4 | / | 0.450 | |
| 4o0r | X4Z | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.450 | |
| 4wuo | NAD | 3-isopropylmalate dehydrogenase | 1.1.1.85 | 0.450 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.449 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.449 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.449 | |
| 4bw2 | UTH | Bromodomain-containing protein 4 | / | 0.449 | |
| 5cds | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 5kje | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 3fl9 | TOP | Dihydrofolate reductase | / | 0.448 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.448 | |
| 4o78 | SAV | Bromodomain-containing protein 4 | / | 0.448 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.448 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.448 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.447 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2eau | CZA | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.447 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.447 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.447 | |
| 4lr6 | 1XA | Bromodomain-containing protein 4 | / | 0.447 | |
| 5dld | UD1 | UDP-N-Acetylglucosamine 2-epimerase | / | 0.447 | |
| 1ezf | IN0 | Squalene synthase | 2.5.1.21 | 0.446 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.445 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.445 | |
| 3t37 | FAD | Pyridoxine 4-oxidase | / | 0.445 | |
| 4akn | S5B | Bromodomain-containing protein 2 | / | 0.445 | |
| 1u8f | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.443 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 2tct | CTC | Tetracycline repressor protein class D | / | 0.443 | |
| 2vku | DBE | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.443 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4h4y | NAP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.443 | |
| 4j0r | 1H2 | Bromodomain-containing protein 4 | / | 0.443 | |
| 3gnc | QQQ | Glutaryl-CoA dehydrogenase | / | 0.442 | |
| 3w4y | FAD | Mitochondrial FAD-linked sulfhydryl oxidase ERV1 | 1.8.3.2 | 0.442 | |
| 4o4e | ATP | Kinase | / | 0.442 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.441 | |
| 3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.441 | |
| 3k4n | FAD | Pyranose 2-oxidase | / | 0.441 | |
| 3lu6 | IMX | Serum albumin | / | 0.441 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.441 | |
| 4mr6 | 1K0 | Bromodomain-containing protein 2 | / | 0.441 | |
| 5kjc | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.440 | |
| 1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.440 | |
| 1u1i | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.440 | |
| 3cgc | FAD | Coenzyme A disulfide reductase | / | 0.440 | |
| 4nr5 | 2LL | CREB-binding protein | / | 0.440 | |
| 4xd2 | NAI | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |