sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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 |
|---|---|---|---|
| 1nde | MON | Estrogen receptor beta |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1nde | MON | Estrogen receptor beta | / | 1.000 | |
| 2jf9 | OHT | Estrogen receptor | / | 0.540 | |
| 2pog | WST | Estrogen receptor | / | 0.530 | |
| 2qe4 | JJ3 | Estrogen receptor | / | 0.528 | |
| 1uom | PTI | Estrogen receptor | / | 0.523 | |
| 1err | RAL | Estrogen receptor | / | 0.510 | |
| 1xqc | AEJ | Estrogen receptor | / | 0.509 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.509 | |
| 1yin | CM3 | Estrogen receptor | / | 0.507 | |
| 2gpv | OHT | Estrogen-related receptor gamma | / | 0.493 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.490 | |
| 1sj0 | E4D | Estrogen receptor | / | 0.485 | |
| 2fsz | OHT | Estrogen receptor beta | / | 0.484 | |
| 2gpu | OHT | Estrogen-related receptor gamma | / | 0.483 | |
| 2ewp | TXF | Estrogen-related receptor gamma | / | 0.480 | |
| 4oj4 | DIF | Peroxisome proliferator-activated receptor gamma | / | 0.475 | |
| 2b52 | D42 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.472 | |
| 1kyo | SMA | Cytochrome b | / | 0.471 | |
| 2p7z | OHT | Estrogen-related receptor gamma | / | 0.471 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.470 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.469 | |
| 1xp6 | AIU | Estrogen receptor | / | 0.467 | |
| 1ezv | SMA | Cytochrome b | / | 0.466 | |
| 1kb9 | SMA | Cytochrome b | / | 0.465 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.463 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.462 | |
| 4z9g | 1Q5 | Corticotropin-releasing factor receptor 1 | / | 0.459 | |
| 4grb | 0XG | Casein kinase II subunit alpha | 2.7.11.1 | 0.458 | |
| 1s9p | DES | Estrogen-related receptor gamma | / | 0.457 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.455 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.454 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.454 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.454 | |
| 2bj4 | OHT | Estrogen receptor | / | 0.453 | |
| 3cxh | SMA | Cytochrome b | / | 0.453 | |
| 4mvf | STU | Calcium-dependent protein kinase 2 | 2.7.11.1 | 0.453 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.453 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.452 | |
| 3cx5 | SMA | Cytochrome b | / | 0.452 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.452 | |
| 4erw | STU | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.451 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.451 | |
| 1fk9 | EFZ | Gag-Pol polyprotein | 2.7.7.49 | 0.450 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.450 | |
| 4yau | 2AM | NADPH--cytochrome P450 reductase | / | 0.450 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.449 | |
| 2giu | FBR | Estrogen receptor beta | / | 0.449 | |
| 1osv | CHC | Bile acid receptor | / | 0.448 | |
| 1qkn | RAL | Estrogen receptor beta | / | 0.448 | |
| 2ibz | SMA | Cytochrome b | / | 0.448 | |
| 1u3r | 338 | Estrogen receptor beta | / | 0.447 | |
| 2acw | UPG | Glycosyltransferase | / | 0.447 | |
| 3lj3 | WYE | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4qa2 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.447 | |
| 1f12 | 3HC | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.446 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.446 | |
| 2jfa | RAL | Estrogen receptor | / | 0.446 | |
| 2yit | YIT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.446 | |
| 3h0a | D30 | Peroxisome proliferator-activated receptor gamma | / | 0.446 | |
| 4qa1 | B3N | Histone deacetylase 8 | 3.5.1.98 | 0.446 | |
| 1rx6 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.445 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.445 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ikv | EFZ | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 1zhz | ERG | Oxysterol-binding protein homolog 4 | / | 0.444 | |
| 3h1j | SMA | Cytochrome b | / | 0.444 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4iv4 | 1GS | Estrogen receptor | / | 0.444 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.444 | |
| 1v79 | FR7 | Adenosine deaminase | 3.5.4.4 | 0.443 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4axd | ANP | Inositol-pentakisphosphate 2-kinase | 2.7.1.158 | 0.443 | |
| 4fad | 0TB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4l42 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.443 | |
| 3rey | XAC | Adenosine receptor A2a | / | 0.443 | |
| 3mfs | ANP | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.442 | |
| 4q5h | ANP | Protein kinase OspG | 2.7 | 0.442 | |
| 5dt0 | SKE | Aurora kinase A | 2.7.11.1 | 0.442 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.442 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.442 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3a4o | STU | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.441 | |
| 1q3w | ATU | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.440 | |
| 1vru | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
| 2v5x | V5X | Histone deacetylase 8 | 3.5.1.98 | 0.440 | |
| 2zax | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 3d3e | D3E | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.440 | |
| 4jbo | WPH | Aurora kinase A | 2.7.11.1 | 0.440 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.440 |