Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
4flp | JQ1 | Bromodomain testis-specific protein |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
4flp | JQ1 | Bromodomain testis-specific protein | / | 1.000 | |
4uyg | 73B | Bromodomain-containing protein 2 | / | 0.624 | |
4a9o | A9O | Bromodomain-containing protein 2 | / | 0.594 | |
4mr6 | 1K0 | Bromodomain-containing protein 2 | / | 0.580 | |
4o70 | 1QK | Bromodomain-containing protein 4 | / | 0.578 | |
4alh | A9P | Bromodomain-containing protein 2 | / | 0.575 | |
4ogi | R78 | Bromodomain-containing protein 4 | / | 0.575 | |
4uyf | 73B | Bromodomain-containing protein 2 | / | 0.569 | |
5bt5 | 2LO | Bromodomain-containing protein 2 | / | 0.568 | |
4akn | S5B | Bromodomain-containing protein 2 | / | 0.567 | |
4a9n | A9N | Bromodomain-containing protein 2 | / | 0.565 | |
4j0s | 1H3 | Bromodomain-containing protein 4 | / | 0.562 | |
4nr5 | 2LL | CREB-binding protein | / | 0.561 | |
4c67 | L5S | Bromodomain-containing protein 4 | / | 0.559 | |
4bjx | 73B | Bromodomain-containing protein 4 | / | 0.556 | |
4lrg | 1XB | Bromodomain-containing protein 4 | / | 0.554 | |
4o76 | 1M3 | Bromodomain-containing protein 4 | / | 0.553 | |
4men | 25K | Bromodomain-containing protein 4 | / | 0.552 | |
4bw3 | 9BM | Bromodomain-containing protein 4 | / | 0.548 | |
4j1p | 1K0 | Bromodomain-containing protein 2 | / | 0.547 | |
4o71 | CPB | Bromodomain-containing protein 4 | / | 0.547 | |
4a9m | P9M | Bromodomain-containing protein 2 | / | 0.545 | |
4bw2 | UTH | Bromodomain-containing protein 4 | / | 0.545 | |
4hxs | 1A3 | Bromodomain-containing protein 4 | / | 0.545 | |
4c66 | H4C | Bromodomain-containing protein 4 | / | 0.543 | |
4qzs | JQ1 | Bromodomain-containing protein 4 | / | 0.543 | |
2yem | WSH | Bromodomain-containing protein 4 | / | 0.542 | |
4j0r | 1H2 | Bromodomain-containing protein 4 | / | 0.540 | |
2ydw | WSH | Bromodomain-containing protein 2 | / | 0.539 | |
2yek | EAM | Bromodomain-containing protein 2 | / | 0.539 | |
4mr4 | 1K0 | Bromodomain-containing protein 4 | / | 0.535 | |
4a9i | P9I | Bromodomain-containing protein 2 | / | 0.533 | |
4nqm | Y1Z | Bromodomain-containing protein 4 | / | 0.530 | |
4py6 | R78 | Bromodomain protein, putative | / | 0.526 | |
4lr6 | 1XA | Bromodomain-containing protein 4 | / | 0.524 | |
3aqa | BYH | Bromodomain-containing protein 2 | / | 0.523 | |
2yel | WSH | Bromodomain-containing protein 4 | / | 0.521 | |
4f3i | 0S6 | Bromodomain-containing protein 4 | / | 0.517 | |
4hxr | 1A4 | Bromodomain-containing protein 4 | / | 0.517 | |
4o74 | R78 | Bromodomain-containing protein 4 | / | 0.517 | |
4mr5 | 1K0 | Bromodomain-containing protein 2 | / | 0.513 | |
4hxn | 1A7 | Bromodomain-containing protein 4 | / | 0.512 | |
4bw1 | S5B | Bromodomain-containing protein 4 | / | 0.510 | |
4hby | 13F | Bromodomain-containing protein 4 | / | 0.505 | |
4meq | 25O | Bromodomain-containing protein 4 | / | 0.503 | |
4a9e | 3PF | Bromodomain-containing protein 2 | / | 0.502 | |
3zyu | 1GH | Bromodomain-containing protein 4 | / | 0.501 | |
4lyw | 21Q | Bromodomain-containing protein 4 | / | 0.496 | |
4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
3pqb | VGP | Putative oxidoreductase | / | 0.489 | |
4o78 | SAV | Bromodomain-containing protein 4 | / | 0.488 | |
4alg | 1GH | Bromodomain-containing protein 2 | / | 0.485 | |
4hxo | 1A6 | Bromodomain-containing protein 4 | / | 0.482 | |
3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.481 | |
4j3i | 1K0 | Bromodomain-containing protein 4 | / | 0.480 | |
4mep | 24Y | Bromodomain-containing protein 4 | / | 0.479 | |
1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.478 | |
3oqk | S52 | Renin | 3.4.23.15 | 0.477 | |
4ia3 | BIV | Vitamin D3 receptor A | / | 0.477 | |
4ir5 | IR5 | Bromodomain adjacent to zinc finger domain protein 2B | / | 0.477 | |
2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.475 | |
2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.473 | |
2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.473 | |
3vt8 | YI3 | Vitamin D3 receptor | / | 0.473 | |
4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.473 | |
4cfl | 8DQ | Bromodomain-containing protein 4 | / | 0.473 | |
5bt4 | 2LO | Bromodomain-containing protein 4 | / | 0.472 | |
2v5a | LZL | Biotin carboxylase | 6.3.4.14 | 0.471 | |
4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
3v9v | 21L | Peroxisome proliferator-activated receptor gamma | / | 0.470 | |
2hcd | BIV | Vitamin D3 receptor A | / | 0.467 | |
2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.467 | |
3vt9 | YI4 | Vitamin D3 receptor | / | 0.467 | |
4fhi | 0S4 | Vitamin D3 receptor A | / | 0.467 | |
4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.467 | |
4y8w | STR | Steroid 21-hydroxylase | / | 0.467 | |
3tw6 | ADP | Pyruvate carboxylase | / | 0.466 | |
4hbw | 14Z | Bromodomain-containing protein 4 | / | 0.466 | |
4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.466 | |
3pm1 | ET | HTH-type transcriptional regulator QacR | / | 0.465 | |
3w5r | LOA | Vitamin D3 receptor | / | 0.465 | |
4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.465 | |
3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.463 | |
4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.463 | |
4l8u | 9AZ | Serum albumin | / | 0.462 | |
1bq1 | CB3 | Thymidylate synthase | / | 0.461 | |
2oax | SNL | Mineralocorticoid receptor | / | 0.461 | |
3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
4mv8 | ACP | Biotin carboxylase | 6.3.4.14 | 0.461 | |
4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.461 | |
1rkh | VD2 | Vitamin D3 receptor | / | 0.460 | |
2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.460 | |
3vt7 | VDX | Vitamin D3 receptor | / | 0.460 | |
4ite | TEY | Vitamin D3 receptor | / | 0.460 | |
4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
1dna | CB3 | Thymidylate synthase | / | 0.459 | |
1p93 | DEX | Glucocorticoid receptor | / | 0.459 | |
2has | C3O | Vitamin D3 receptor | / | 0.459 | |
2hb7 | O1C | Vitamin D3 receptor | / | 0.459 | |
3kpz | ZNE | Vitamin D3 receptor | / | 0.458 | |
3vtd | TKD | Vitamin D3 receptor | / | 0.458 | |
4qa2 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.458 | |
2cib | CM6 | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.457 | |
2p4y | C03 | Peroxisome proliferator-activated receptor gamma | / | 0.457 | |
3gwf | FAD | Cyclohexanone monooxygenase | / | 0.457 | |
3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.457 | |
1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
1t1r | IMB | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.456 | |
3i1f | GCP | Translation initiation factor 2 subunit gamma | / | 0.456 | |
3slk | NDP | Polyketide synthase extender module 2 | / | 0.456 | |
2ham | C33 | Vitamin D3 receptor | / | 0.455 | |
2pe2 | 464 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.455 | |
1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
1kzj | CB3 | Thymidylate synthase | / | 0.454 | |
2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.454 | |
4rbs | 0RV | Metallo-beta-lactamase type 2 | / | 0.454 | |
5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.454 | |
1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.453 | |
4n70 | 2HX | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.453 | |
4rrh | A3S | Probable threonine--tRNA ligase 2 | 6.1.1.3 | 0.453 | |
1fml | RTL | Retinol dehydratase | / | 0.452 | |
2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.452 | |
4cfk | LY2 | Bromodomain-containing protein 4 | / | 0.452 | |
4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.452 | |
1ie4 | T44 | Transthyretin | / | 0.451 | |
1xdd | AAY | Integrin alpha-L | / | 0.451 | |
2c31 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.451 | |
2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.451 | |
2w3v | TOP | Dihydrofolate reductase | / | 0.451 | |
3r7i | X9I | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
3sn7 | 540 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
3vrw | YS5 | Vitamin D3 receptor | / | 0.451 | |
1byg | STU | Tyrosine-protein kinase CSK | / | 0.450 | |
1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
1ie8 | KH1 | Vitamin D3 receptor | / | 0.450 | |
1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.450 | |
1kqw | RTL | Cellular retinol-binding protein type II | / | 0.450 | |
2i1v | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.450 | |
2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.450 | |
3ii4 | 3II | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.450 | |
3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.450 | |
4czt | CPS | CBL-interacting serine/threonine-protein kinase 23 | 2.7.11.1 | 0.450 | |
4g1z | 0VP | Vitamin D3 receptor A | / | 0.450 | |
4p6w | MOF | Glucocorticoid receptor | / | 0.450 | |
2i4j | DRJ | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
3eel | 53T | Uncharacterized protein | / | 0.449 | |
3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.449 | |
3mtl | FEF | Cyclin-dependent kinase 16 | 2.7.11.22 | 0.449 | |
3u4u | LNH | Casein kinase II subunit alpha | 2.7.11.1 | 0.449 | |
4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
4wh3 | ATP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.449 | |
1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
1iyz | NDP | Probable quinone oxidoreductase | / | 0.448 | |
1s19 | MC9 | Vitamin D3 receptor | / | 0.448 | |
2c3q | GTX | Glutathione S-transferase theta-1 | 2.5.1.18 | 0.448 | |
2chw | 039 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.448 | |
3a78 | 3EV | Vitamin D3 receptor | / | 0.448 | |
3l8s | BFF | Mitogen-activated protein kinase 14 | / | 0.448 | |
3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
3qpv | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.448 | |
3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.448 | |
1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.447 | |
1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.447 | |
1x8l | OXR | Retinol dehydratase | / | 0.447 | |
2i40 | BLZ | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
2vtp | LZ9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.447 | |
4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.447 | |
1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
1hnc | GDN | Glutathione S-transferase Mu 2 | 2.5.1.18 | 0.446 | |
1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
1qnf | FAD | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.446 | |
1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.446 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.446 | |
2ovh | AS0 | Progesterone receptor | / | 0.446 | |
2ovm | AS0 | Progesterone receptor | / | 0.446 | |
2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.446 | |
3gob | HXX | DdmC | / | 0.446 | |
4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
4zm6 | ACO | N-acetyl-beta-D glucosaminidase | / | 0.446 | |
3qak | UKA | Adenosine receptor A2a | / | 0.446 | |
1txi | TX5 | Vitamin D3 receptor | / | 0.445 | |
2fgk | ATP | Alpha-hemolysin translocation ATP-binding protein HlyB | / | 0.445 | |
3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.445 | |
3pe2 | E1B | Casein kinase II subunit alpha | 2.7.11.1 | 0.445 | |
3r8z | Z63 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
3w5p | 4OA | Vitamin D3 receptor | / | 0.445 | |
3zk5 | Z18 | Cytochrome P450 monooxygenase PikC | / | 0.445 | |
4aoi | 4K0 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.445 | |
4ia2 | BIV | Vitamin D3 receptor A | / | 0.445 | |
2vd5 | BI8 | Myotonin-protein kinase | 2.7.11.1 | 0.444 | |
2wgj | VGH | Hepatocyte growth factor receptor | 2.7.10.1 | 0.444 | |
2xvv | 9DN | Serum albumin | / | 0.444 | |
3anm | SYD | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.444 | |
3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
3ewr | APR | Replicase polyprotein 1a | 3.4.22 | 0.444 | |
4egn | TWO | Cytochrome P450 | / | 0.444 | |
4g1d | 0VK | Vitamin D3 receptor A | / | 0.444 | |
1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
1zgy | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
2e9v | 85A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
2jiz | ANP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.443 | |
2v58 | LZJ | Biotin carboxylase | 6.3.4.14 | 0.443 | |
2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.443 | |
3c0i | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.443 | |
3c1t | MYC | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.443 | |
3p3z | P3Z | Putative cytochrome P450 | / | 0.443 | |
4ryv | ZEA | Protein LlR18A | / | 0.443 | |
1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
2har | OCC | Vitamin D3 receptor | / | 0.442 | |
2pmd | GNP | Translation initiation factor 2 subunit gamma | / | 0.442 | |
2vv9 | IM9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.442 | |
3h6v | NS6 | Glutamate receptor 2 | / | 0.442 | |
4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.442 | |
4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.442 | |
4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.442 | |
5eyp | LOC | Tubulin beta chain | / | 0.442 | |
1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
1y0s | 331 | Peroxisome proliferator-activated receptor delta | / | 0.441 | |
2b55 | D31 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
2b7a | IZA | Tyrosine-protein kinase JAK2 | / | 0.441 | |
2xvw | 9NR | Serum albumin | / | 0.441 | |
3d7k | D7K | Benzaldehyde lyase | / | 0.441 | |
3id8 | MRK | Glucokinase | 2.7.1.2 | 0.441 | |
3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3oqf | S51 | Renin | 3.4.23.15 | 0.441 | |
3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.441 | |
3tmz | 06X | Cytochrome P450 2B4 | 1.14.14.1 | 0.441 | |
4bf2 | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.441 | |
4c1i | EH9 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.441 | |
4fkr | 45K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
4y93 | 746 | Tyrosine-protein kinase | / | 0.441 | |
1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
3cyl | VIT | Basic phospholipase A2 homolog piratoxin-2 | / | 0.440 | |
3dd1 | 25D | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.440 | |
3r34 | COA | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.440 | |
3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
4b7s | QLE | Cytochrome P450 monooxygenase PikC | / | 0.440 | |
4h9t | HL4 | Phosphotriesterase | / | 0.440 |