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 |
|---|---|---|---|
| 2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.533 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.523 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.518 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.512 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1bzf | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.507 | |
| 3fl9 | TOP | Dihydrofolate reductase | / | 0.501 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.498 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 2qk8 | MTX | Dihydrofolate reductase | / | 0.488 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.482 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1fvp | FMA | Non-fluorescent flavoprotein | / | 0.479 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3gyu | DL7 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.477 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.475 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.473 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3tda | PN0 | Cytochrome P450 2D6 | / | 0.465 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.465 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.464 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.464 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
| 2chw | 039 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.463 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.463 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 3ar4 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.462 | |
| 1rf9 | DBR | Camphor 5-monooxygenase | 1.14.15.1 | 0.461 | |
| 3fko | FKO | Mitogen-activated protein kinase 14 | / | 0.460 | |
| 1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 3lfe | Z84 | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 4elh | 53I | Dihydrofolate reductase | / | 0.459 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.459 | |
| 3ar7 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.458 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.458 | |
| 4u9z | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.458 | |
| 5doz | NDP | JamJ | / | 0.458 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.457 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.457 | |
| 4rn6 | 15U | Prothrombin | 3.4.21.5 | 0.457 | |
| 1eio | GCH | Gastrotropin | / | 0.456 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3l8s | BFF | Mitogen-activated protein kinase 14 | / | 0.456 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.456 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.455 | |
| 2y98 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.455 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 4a2z | MYA | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 4cgp | MYA | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 2azz | TCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.454 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 3q44 | D50 | M1 family aminopeptidase | 3.4.11 | 0.454 | |
| 4i1n | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.453 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 3ol5 | SAW | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.453 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.453 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.452 | |
| 3ar6 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.452 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 1sui | FRE | Caffeoyl-CoA O-methyltransferase | 2.1.1.104 | 0.451 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2agv | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.450 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4o76 | 1M3 | Bromodomain-containing protein 4 | / | 0.450 | |
| 1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.449 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 3p6n | DSO | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.447 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 2x23 | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 1w06 | W05 | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
| 4bbh | NHW | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
| 1jut | LYD | Thymidylate synthase | / | 0.444 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.444 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.444 | |
| 3haz | FAD | Bifunctional protein PutA | / | 0.444 | |
| 3nx4 | NAP | Putative oxidoreductase | / | 0.444 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.443 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3hz1 | 37D | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.443 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 1iyz | NDP | Probable quinone oxidoreductase | / | 0.442 | |
| 2h42 | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.442 | |
| 3ar5 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.442 | |
| 4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.442 | |
| 4jlj | 1NM | Deoxycytidine kinase | 2.7.1.74 | 0.442 | |
| 4uyf | 73B | Bromodomain-containing protein 2 | / | 0.442 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1osv | CHC | Bile acid receptor | / | 0.441 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 3p6p | A6B | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3t8x | T8X | T-cell surface glycoprotein CD1b | / | 0.441 | |
| 3uwl | FOZ | Thymidylate synthase | / | 0.441 | |
| 3v9y | 24L | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 4wri | OKA | Okadaic acid binding protein 2-alpha | / | 0.441 | |
| 1re9 | DSO | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 1xds | DRA | Aclacinomycin 10-hydroxylase RdmB | 4.1.1 | 0.440 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2yvw | EPU | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.440 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.440 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.440 |