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 |
---|---|---|---|
2ynf | WHU | Gag-Pol polyprotein | 2.7.7.49 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
2ynf | WHU | Gag-Pol polyprotein | 2.7.7.49 | 1.000 | |
4h4o | 506 | Gag-Pol polyprotein | 2.7.7.49 | 0.629 | |
3drp | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.618 | |
3t19 | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.609 | |
3t1a | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.607 | |
3tam | M06 | Gag-Pol polyprotein | 2.7.7.49 | 0.602 | |
3c6u | M22 | Gag-Pol polyprotein | 2.7.7.49 | 0.601 | |
3c6t | M14 | Gag-Pol polyprotein | 2.7.7.49 | 0.599 | |
2be2 | R22 | Gag-Pol polyprotein | 2.7.7.49 | 0.589 | |
3dya | PZL | Gag-Pol polyprotein | 2.7.7.49 | 0.586 | |
3e01 | PZ2 | Gag-Pol polyprotein | 2.7.7.49 | 0.581 | |
4mfb | 29T | Gag-Pol polyprotein | 2.7.7.49 | 0.578 | |
3drr | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.576 | |
4rw6 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.575 | |
3dmj | GWE | Pol protein | / | 0.572 | |
4rw4 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.569 | |
3lak | KR1 | Gag-Pol polyprotein | 2.7.7.49 | 0.567 | |
3dok | GWJ | Pol protein | / | 0.564 | |
3dlg | GWE | Gag-Pol polyprotein | 2.7.7.49 | 0.559 | |
2b5j | 3AC | Gag-Pol polyprotein | 2.7.7.49 | 0.556 | |
2ynh | EUR | Gag-Pol polyprotein | 2.7.7.49 | 0.540 | |
3ffi | 3OB | Gag-Pol polyprotein | 2.7.7.49 | 0.537 | |
1jla | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.529 | |
2won | ZZE | Gag-Pol polyprotein | 2.7.7.49 | 0.529 | |
3lal | KRV | Gag-Pol polyprotein | 2.7.7.49 | 0.516 | |
3dol | GWI | Pol protein | / | 0.513 | |
1rt2 | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.505 | |
2jle | I15 | Reverse transcriptase/RNaseH | / | 0.504 | |
1c1b | GCA | Gag-Pol polyprotein | 2.7.7.49 | 0.491 | |
1rt1 | MKC | Gag-Pol polyprotein | 2.7.7.49 | 0.486 | |
4i7f | NVE | Gag-Pol polyprotein | 2.7.7.49 | 0.486 | |
1rti | HEF | Gag-Pol polyprotein | 2.7.7.49 | 0.483 | |
3lam | KRP | Gag-Pol polyprotein | 2.7.7.49 | 0.483 | |
3vt6 | 5YI | Vitamin D3 receptor | / | 0.482 | |
3dle | GFA | Gag-Pol polyprotein | 2.7.7.49 | 0.480 | |
3nbp | JGZ | Gag-Pol polyprotein | 2.7.7.49 | 0.479 | |
4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.479 | |
4q0a | 4OA | Vitamin D3 receptor A | / | 0.479 | |
2hc4 | VDX | Vitamin D3 receptor A | / | 0.474 | |
4erw | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.474 | |
3dl9 | V2H | Vitamin D 25-hydroxylase | / | 0.473 | |
3fco | IIG | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.473 | |
1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
3rk7 | 08Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.471 | |
1klm | SPP | Gag-Pol polyprotein | 2.7.7.49 | 0.467 | |
2o4r | VD5 | Vitamin D3 receptor | / | 0.467 | |
3w0a | DS5 | Vitamin D3 receptor | / | 0.467 | |
4ia3 | BIV | Vitamin D3 receptor A | / | 0.467 | |
3sw7 | 19K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.466 | |
4fhh | 0U3 | Vitamin D3 receptor A | / | 0.466 | |
2nnh | REA | Cytochrome P450 2C8 | / | 0.464 | |
1oir | HDY | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.463 | |
2ham | C33 | Vitamin D3 receptor | / | 0.463 | |
2hbh | XE4 | Vitamin D3 receptor A | / | 0.462 | |
3di6 | PDZ | Gag-Pol polyprotein | 2.7.7.49 | 0.462 | |
3w5t | LHP | Vitamin D3 receptor | / | 0.462 | |
1fmj | RTL | Retinol dehydratase | / | 0.461 | |
3m8q | DJZ | Gag-Pol polyprotein | 2.7.7.49 | 0.461 | |
4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.461 | |
1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.460 | |
3vrw | YS5 | Vitamin D3 receptor | / | 0.460 | |
4hfm | NAP | 2-alkenal reductase (NADP(+)-dependent) | / | 0.460 | |
1c1c | 612 | Gag-Pol polyprotein | 2.7.7.49 | 0.459 | |
4fhi | 0S4 | Vitamin D3 receptor A | / | 0.459 | |
2ard | FDA | Flavin-dependent tryptophan halogenase PrnA | 1.14.19.9 | 0.458 | |
3rmf | 20Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.458 | |
3vt4 | 5YI | Vitamin D3 receptor | / | 0.458 | |
4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.458 | |
4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.458 | |
1rjk | VDZ | Vitamin D3 receptor | / | 0.457 | |
1rkg | VD1 | Vitamin D3 receptor | / | 0.457 | |
3sqq | 99Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
3w5p | 4OA | Vitamin D3 receptor | / | 0.457 | |
4g2h | 0VQ | Vitamin D3 receptor A | / | 0.457 | |
4rup | H97 | Vitamin D3 receptor A | / | 0.457 | |
1s1v | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.456 | |
3dr1 | C5D | Vitamin D3 receptor A | / | 0.456 | |
3w5r | LOA | Vitamin D3 receptor | / | 0.456 | |
4gub | 0Y4 | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.456 | |
1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.455 | |
4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.455 | |
4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.455 | |
1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.454 | |
1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.454 | |
1ezv | SMA | Cytochrome b | / | 0.454 | |
2w06 | FRV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.454 | |
3at4 | CCK | Casein kinase II subunit alpha | 2.7.11.1 | 0.454 | |
3jyn | NDP | Quinone oxidoreductase | / | 0.454 | |
3kpk | FAD | Sulfide-quinone reductase | / | 0.454 | |
3tvu | B37 | Acetyl-CoA carboxylase | / | 0.454 | |
1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.453 | |
1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
1rkh | VD2 | Vitamin D3 receptor | / | 0.453 | |
2hb7 | O1C | Vitamin D3 receptor | / | 0.453 | |
2vzm | NRB | Cytochrome P450 monooxygenase PikC | / | 0.453 | |
2wuf | KEM | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 3.7.1.17 | 0.453 | |
1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.452 | |
1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.452 | |
2has | C3O | Vitamin D3 receptor | / | 0.452 | |
3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
3kpz | ZNE | Vitamin D3 receptor | / | 0.452 | |
3vtd | TKD | Vitamin D3 receptor | / | 0.452 | |
4acm | 7YG | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
1rk3 | VDX | Vitamin D3 receptor | / | 0.451 | |
2w1h | L0F | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
3aba | FLI | Cytochrome P450 | / | 0.451 | |
3p3z | P3Z | Putative cytochrome P450 | / | 0.451 | |
1kt3 | RTL | Retinol-binding protein 4 | / | 0.450 | |
2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.450 | |
3nwz | COA | BH2602 protein | / | 0.450 | |
3rk9 | 09Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
4b7d | QLE | Cytochrome P450 monooxygenase PikC | / | 0.450 | |
4g21 | 0VP | Vitamin D3 receptor A | / | 0.450 | |
4k2x | FAD | Polyketide oxygenase/hydroxylase | / | 0.450 | |
1kb9 | SMA | Cytochrome b | / | 0.449 | |
1n4h | REA | Nuclear receptor ROR-beta | / | 0.449 | |
1w2x | RCP | Acetyl-CoA carboxylase | / | 0.449 | |
2ovh | AS0 | Progesterone receptor | / | 0.449 | |
3i0r | RT3 | Gag-Pol polyprotein | 2.7.7.49 | 0.449 | |
3rm6 | 18Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
3tmz | 06X | Cytochrome P450 2B4 | 1.14.14.1 | 0.449 | |
4aw3 | MYV | Mycinamicin IV hydroxylase/epoxidase | / | 0.449 | |
1l2j | ETC | Estrogen receptor beta | / | 0.448 | |
3a78 | 3EV | Vitamin D3 receptor | / | 0.448 | |
3sw4 | 18K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
3vt5 | YI2 | Vitamin D3 receptor | / | 0.448 | |
1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.447 | |
2hcd | BIV | Vitamin D3 receptor A | / | 0.447 | |
2p1v | 5TN | Retinoic acid receptor RXR-alpha | / | 0.447 | |
2wug | HPK | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 3.7.1.17 | 0.447 | |
2y98 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.447 | |
3tea | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.447 | |
4g1d | 0VK | Vitamin D3 receptor A | / | 0.447 | |
4h4m | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.447 | |
5eai | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.447 | |
1men | GAR | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.446 | |
4i2q | 1BT | Gag-Pol polyprotein | 2.7.7.49 | 0.446 | |
4ia2 | BIV | Vitamin D3 receptor A | / | 0.446 | |
1e9h | INR | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.445 | |
1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.445 | |
1v1k | 3FP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
2hb8 | MVD | Vitamin D3 receptor | / | 0.445 | |
4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.445 | |
4ruo | BIV | Vitamin D3 receptor A | / | 0.445 | |
1h1s | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
2hwr | DRD | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
2zlc | VDX | Vitamin D3 receptor | / | 0.444 | |
3ez2 | ADP | Plasmid partition protein A | / | 0.444 | |
3i0s | RT7 | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
3zux | TCH | Transporter | / | 0.444 | |
4eon | 1RO | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
4ite | TEY | Vitamin D3 receptor | / | 0.444 | |
4l45 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.444 | |
4o71 | CPB | Bromodomain-containing protein 4 | / | 0.444 | |
2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
2har | OCC | Vitamin D3 receptor | / | 0.443 | |
3vt9 | YI4 | Vitamin D3 receptor | / | 0.443 | |
3w0c | 6DS | Vitamin D3 receptor | / | 0.443 | |
4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.443 | |
4nka | 2K7 | Fibroblast growth factor receptor 1 | / | 0.443 | |
1db1 | VDX | Vitamin D3 receptor | / | 0.442 | |
1p2a | 5BN | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
2o3z | AI7 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | / | 0.442 | |
2y46 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.442 | |
3gco | VAL_TYR_GLN_PHE | Serine endoprotease DegS | 3.4.21.107 | 0.442 | |
3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.442 | |
3r1s | X73 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
4g1z | 0VP | Vitamin D3 receptor A | / | 0.442 | |
4hvi | 19S | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.442 | |
4itf | TFY | Vitamin D3 receptor | / | 0.442 | |
4j6c | STR | Cytochrome P450 monooxygenase | / | 0.442 | |
4z44 | FAD | Flavin-dependent tryptophan halogenase PrnA | 1.14.19.9 | 0.442 | |
1n83 | CLR | Nuclear receptor ROR-alpha | / | 0.441 | |
1s19 | MC9 | Vitamin D3 receptor | / | 0.441 | |
2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.441 | |
2zla | VDB | Vitamin D3 receptor | / | 0.441 | |
3m7r | VDX | Vitamin D3 receptor | / | 0.441 | |
3w0y | DS4 | Vitamin D3 receptor | / | 0.441 | |
1x8l | OXR | Retinol dehydratase | / | 0.440 | |
1y91 | CT9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
2duv | 371 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
2vz6 | FEF | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2.7.11.17 | 0.440 | |
3ctj | 320 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.440 | |
3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.440 | |
3iup | NDP | Possible NADH oxidoreductase | / | 0.440 | |
3lfn | A27 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
3vt8 | YI3 | Vitamin D3 receptor | / | 0.440 | |
3zuy | TCH | Transporter | / | 0.440 | |
4a4w | YFB | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.440 | |
4y8w | STR | Steroid 21-hydroxylase | / | 0.440 |