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 |
|---|---|---|---|
| 3dol | GWI | Pol protein |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3dol | GWI | Pol protein | / | 1.000 | |
| 3e01 | PZ2 | Gag-Pol polyprotein | 2.7.7.49 | 0.618 | |
| 3dya | PZL | Gag-Pol polyprotein | 2.7.7.49 | 0.606 | |
| 4h4o | 506 | Gag-Pol polyprotein | 2.7.7.49 | 0.595 | |
| 3c6t | M14 | Gag-Pol polyprotein | 2.7.7.49 | 0.593 | |
| 1rti | HEF | Gag-Pol polyprotein | 2.7.7.49 | 0.592 | |
| 4h4m | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.591 | |
| 3t1a | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.581 | |
| 3dmj | GWE | Pol protein | / | 0.580 | |
| 3ffi | 3OB | Gag-Pol polyprotein | 2.7.7.49 | 0.577 | |
| 3c6u | M22 | Gag-Pol polyprotein | 2.7.7.49 | 0.575 | |
| 1jla | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.570 | |
| 2be2 | R22 | Gag-Pol polyprotein | 2.7.7.49 | 0.563 | |
| 1s1v | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.562 | |
| 3lak | KR1 | Gag-Pol polyprotein | 2.7.7.49 | 0.561 | |
| 3dlg | GWE | Gag-Pol polyprotein | 2.7.7.49 | 0.556 | |
| 3t19 | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.556 | |
| 1rt2 | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.555 | |
| 3dok | GWJ | Pol protein | / | 0.551 | |
| 3dle | GFA | Gag-Pol polyprotein | 2.7.7.49 | 0.550 | |
| 4i7f | NVE | Gag-Pol polyprotein | 2.7.7.49 | 0.549 | |
| 3i0r | RT3 | Gag-Pol polyprotein | 2.7.7.49 | 0.541 | |
| 1c1b | GCA | Gag-Pol polyprotein | 2.7.7.49 | 0.540 | |
| 4mfb | 29T | Gag-Pol polyprotein | 2.7.7.49 | 0.540 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.537 | |
| 1klm | SPP | Gag-Pol polyprotein | 2.7.7.49 | 0.534 | |
| 4rw4 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.534 | |
| 3drp | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.533 | |
| 3lam | KRP | Gag-Pol polyprotein | 2.7.7.49 | 0.530 | |
| 1c1c | 612 | Gag-Pol polyprotein | 2.7.7.49 | 0.525 | |
| 1ep4 | S11 | Gag-Pol polyprotein | 2.7.7.49 | 0.524 | |
| 3di6 | PDZ | Gag-Pol polyprotein | 2.7.7.49 | 0.522 | |
| 3drr | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.522 | |
| 3i0s | RT7 | Gag-Pol polyprotein | 2.7.7.49 | 0.518 | |
| 1rt1 | MKC | Gag-Pol polyprotein | 2.7.7.49 | 0.514 | |
| 3lan | KBT | Gag-Pol polyprotein | 2.7.7.49 | 0.509 | |
| 2rki | TT1 | Gag-Pol polyprotein | 2.7.7.49 | 0.505 | |
| 2won | ZZE | Gag-Pol polyprotein | 2.7.7.49 | 0.505 | |
| 2ynh | EUR | Gag-Pol polyprotein | 2.7.7.49 | 0.500 | |
| 3tam | M06 | Gag-Pol polyprotein | 2.7.7.49 | 0.492 | |
| 1hpz | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.489 | |
| 3nbp | JGZ | Gag-Pol polyprotein | 2.7.7.49 | 0.486 | |
| 2ynf | WHU | Gag-Pol polyprotein | 2.7.7.49 | 0.485 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.483 | |
| 1hqu | HBY | Gag-Pol polyprotein | 2.7.7.49 | 0.478 | |
| 1fml | RTL | Retinol dehydratase | / | 0.474 | |
| 5cyq | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.472 | |
| 1tvr | TB9 | Gag-Pol polyprotein | 2.7.7.49 | 0.468 | |
| 3t2y | FAD | Sulfide-quinone reductase | / | 0.467 | |
| 3m8q | DJZ | Gag-Pol polyprotein | 2.7.7.49 | 0.465 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.465 | |
| 1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.464 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.464 | |
| 2ic3 | HBY | Gag-Pol polyprotein | 2.7.7.49 | 0.463 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.463 | |
| 2uag | UMA | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.461 | |
| 2wet | FAD | Tryptophan 5-halogenase | / | 0.459 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.459 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.459 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.457 | |
| 2o1x | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.457 | |
| 3lal | KRV | Gag-Pol polyprotein | 2.7.7.49 | 0.457 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.456 | |
| 4jqe | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.456 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.453 | |
| 1aq1 | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
| 2q5g | 1FA | Peroxisome proliferator-activated receptor delta | / | 0.452 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.452 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.452 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.451 | |
| 2w0b | CMW | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.451 | |
| 2zla | VDB | Vitamin D3 receptor | / | 0.451 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.451 | |
| 2j14 | GNI | Peroxisome proliferator-activated receptor delta | / | 0.450 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.450 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 2iw9 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3uov | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.449 | |
| 4ia2 | BIV | Vitamin D3 receptor A | / | 0.449 | |
| 4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 1rkh | VD2 | Vitamin D3 receptor | / | 0.448 | |
| 2ard | FDA | Flavin-dependent tryptophan halogenase PrnA | 1.14.19.9 | 0.448 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 4z44 | FAD | Flavin-dependent tryptophan halogenase PrnA | 1.14.19.9 | 0.448 | |
| 1ju6 | LYA | Thymidylate synthase | 2.1.1.45 | 0.447 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 3u8h | BHP | Phospholipase A2, membrane associated | / | 0.447 | |
| 4dhy | S41 | Glucokinase | 2.7.1.2 | 0.447 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.447 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.446 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3tmz | 06X | Cytochrome P450 2B4 | 1.14.14.1 | 0.446 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.446 | |
| 1v7a | FRC | Adenosine deaminase | 3.5.4.4 | 0.445 | |
| 2has | C3O | Vitamin D3 receptor | / | 0.445 | |
| 3c0g | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.445 | |
| 3vrt | YS2 | Vitamin D3 receptor | / | 0.445 | |
| 4rup | H97 | Vitamin D3 receptor A | / | 0.445 | |
| 1hni | AAA | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.444 | |
| 4fk3 | 325 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.444 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.444 | |
| 1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.443 | |
| 1tl3 | H20 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 2hnz | PC0 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 3kpk | FAD | Sulfide-quinone reductase | / | 0.443 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.442 | |
| 2xls | FAD | Putative flavin-containing monooxygenase | / | 0.442 | |
| 3qly | 55V | Uncharacterized protein | / | 0.442 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.442 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.442 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.442 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.441 | |
| 4eil | CB3 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.441 | |
| 4o71 | CPB | Bromodomain-containing protein 4 | / | 0.441 | |
| 4pkl | 1GH | Uncharacterized protein | / | 0.441 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.440 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.440 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.440 | |
| 2om9 | AJA | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3sn7 | 540 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 4d7e | FAD | Putative lysine-N-oxygenase | / | 0.440 | |
| 4h4u | NDP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.440 |