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 |
---|---|---|---|
4hbw | 14Z | Bromodomain-containing protein 4 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4hbw | 14Z | Bromodomain-containing protein 4 | / | 1.000 | |
4c67 | L5S | Bromodomain-containing protein 4 | / | 0.636 | |
4hxr | 1A4 | Bromodomain-containing protein 4 | / | 0.626 | |
4gpj | 0Q1 | Bromodomain-containing protein 4 | / | 0.574 | |
4alh | A9P | Bromodomain-containing protein 2 | / | 0.566 | |
4akn | S5B | Bromodomain-containing protein 2 | / | 0.560 | |
4lr6 | 1XA | Bromodomain-containing protein 4 | / | 0.554 | |
4uyf | 73B | Bromodomain-containing protein 2 | / | 0.548 | |
4cfk | LY2 | Bromodomain-containing protein 4 | / | 0.546 | |
4hxs | 1A3 | Bromodomain-containing protein 4 | / | 0.542 | |
4hby | 13F | Bromodomain-containing protein 4 | / | 0.538 | |
4men | 25K | Bromodomain-containing protein 4 | / | 0.534 | |
4j0s | 1H3 | Bromodomain-containing protein 4 | / | 0.532 | |
5bt5 | 2LO | Bromodomain-containing protein 2 | / | 0.525 | |
4mep | 24Y | Bromodomain-containing protein 4 | / | 0.521 | |
4ogi | R78 | Bromodomain-containing protein 4 | / | 0.521 | |
4alg | 1GH | Bromodomain-containing protein 2 | / | 0.519 | |
4nr8 | 2LL | Bromodomain-containing protein 4 | / | 0.518 | |
4j1p | 1K0 | Bromodomain-containing protein 2 | / | 0.516 | |
3aqa | BYH | Bromodomain-containing protein 2 | / | 0.513 | |
4bw3 | 9BM | Bromodomain-containing protein 4 | / | 0.513 | |
4flp | JQ1 | Bromodomain testis-specific protein | / | 0.512 | |
4hxm | 1A8 | Bromodomain-containing protein 4 | / | 0.511 | |
4hxn | 1A7 | Bromodomain-containing protein 4 | / | 0.510 | |
4c66 | H4C | Bromodomain-containing protein 4 | / | 0.507 | |
4mr4 | 1K0 | Bromodomain-containing protein 4 | / | 0.504 | |
4a9l | P9L | Bromodomain-containing protein 4 | / | 0.503 | |
4a9n | A9N | Bromodomain-containing protein 2 | / | 0.502 | |
4bw2 | UTH | Bromodomain-containing protein 4 | / | 0.501 | |
3zyu | 1GH | Bromodomain-containing protein 4 | / | 0.498 | |
4bw1 | S5B | Bromodomain-containing protein 4 | / | 0.494 | |
4lyw | 21Q | Bromodomain-containing protein 4 | / | 0.494 | |
2yem | WSH | Bromodomain-containing protein 4 | / | 0.492 | |
4qzs | JQ1 | Bromodomain-containing protein 4 | / | 0.492 | |
4j3i | 1K0 | Bromodomain-containing protein 4 | / | 0.491 | |
4nyv | 15E | CREB-binding protein | / | 0.489 | |
2yel | WSH | Bromodomain-containing protein 4 | / | 0.487 | |
4o78 | SAV | Bromodomain-containing protein 4 | / | 0.485 | |
4uyg | 73B | Bromodomain-containing protein 2 | / | 0.484 | |
4o71 | CPB | Bromodomain-containing protein 4 | / | 0.482 | |
4hxo | 1A6 | Bromodomain-containing protein 4 | / | 0.480 | |
4meq | 25O | Bromodomain-containing protein 4 | / | 0.480 | |
4i0t | 1B6 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.479 | |
3lj3 | WYE | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.475 | |
4c4o | NAD | SADH | / | 0.470 | |
4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.470 | |
4nr5 | 2LL | CREB-binding protein | / | 0.468 | |
3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.466 | |
4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.464 | |
4bw4 | 9B6 | Bromodomain-containing protein 4 | / | 0.464 | |
4f3i | 0S6 | Bromodomain-containing protein 4 | / | 0.462 | |
2b36 | 5PP | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.461 | |
2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.461 | |
4lrg | 1XB | Bromodomain-containing protein 4 | / | 0.460 | |
4a4w | YFB | Peroxisome proliferator-activated receptor gamma | / | 0.459 | |
3g5s | FAD | Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO | / | 0.458 | |
2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.457 | |
3tqh | NDP | Quinone oxidoreductase | / | 0.457 | |
4py6 | R78 | Bromodomain protein, putative | / | 0.457 | |
4nyw | 2O3 | CREB-binding protein | / | 0.456 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.455 | |
2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
3stv | 3HO | Methylketone synthase I | / | 0.455 | |
1cjc | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.454 | |
1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.454 | |
2xvd | AS6 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.452 | |
3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.452 | |
4k9n | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.452 | |
1e1n | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.451 | |
3ict | COA | Coenzyme A disulfide reductase | / | 0.451 | |
3o6o | 94M | Heat shock protein 83 | / | 0.451 | |
1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.450 | |
2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.450 | |
4wsq | KSA | AP2-associated protein kinase 1 | 2.7.11.1 | 0.450 | |
3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.449 | |
4hw3 | 19G | Induced myeloid leukemia cell differentiation protein Mcl-1 | / | 0.449 | |
4pzd | NAD | 3-Hydroxyacyl-CoA dehydrogenase | / | 0.449 | |
1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.447 | |
2b00 | GCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.447 | |
2ed3 | SAH | Diphthine synthase | / | 0.447 | |
2jdv | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.447 | |
3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.446 | |
4y8w | STR | Steroid 21-hydroxylase | / | 0.446 | |
3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
3r88 | 14F | Anthranilate phosphoribosyltransferase | / | 0.445 | |
4mr6 | 1K0 | Bromodomain-containing protein 2 | / | 0.445 | |
3ics | COA | Coenzyme A disulfide reductase | / | 0.444 | |
3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.444 | |
1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.443 | |
2j5b | TYE | Tyrosine--tRNA ligase | 6.1.1.1 | 0.443 | |
2wou | ZZF | TGF-beta receptor type-1 | 2.7.11.30 | 0.443 | |
4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
1ict | T44 | Transthyretin | / | 0.442 | |
3vso | EK1 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
3zly | YSO | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.442 | |
4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.442 | |
4iv6 | FDA | Isovaleryl-CoA dehydrogenase | / | 0.442 | |
4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.442 | |
1e1k | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.441 | |
1sgu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.441 | |
1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
3h18 | PMS | Esterase/lipase | / | 0.440 | |
3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.440 | |
4ccr | FAD | Thioredoxin reductase | / | 0.440 | |
4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.440 | |
4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 |