sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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 |
|---|---|---|---|
| 2nnl | ERD | Dihydroflavonol 4-reductase | 1.1.1.219 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2nnl | ERD | Dihydroflavonol 4-reductase | 1.1.1.219 | 1.000 | |
| 3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.523 | |
| 2yne | YNE | Glycylpeptide N-tetradecanoyltransferase | / | 0.476 | |
| 4phl | PIL | Phosphodiesterase | / | 0.463 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 4bvn | P32 | Beta-1 adrenergic receptor | / | 0.462 | |
| 1ycg | FMN | Nitric oxide reductase | 1 | 0.461 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.459 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 1xdk | REA | Retinoic acid receptor beta | / | 0.457 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.457 | |
| 3sf6 | FDA | Glutaryl-CoA dehydrogenase | / | 0.456 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.456 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.456 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.456 | |
| 5a8e | XTK | Beta-1 adrenergic receptor | / | 0.454 | |
| 2acl | L05 | Oxysterols receptor LXR-alpha | / | 0.453 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.453 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.452 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.452 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.451 | |
| 4at0 | FAD | Possible succinate dehydrogenase | / | 0.449 | |
| 4dm6 | TTB | Retinoic acid receptor beta | / | 0.449 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.448 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 3p6m | DSO | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 4if5 | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.447 | |
| 1pqc | 444 | Oxysterols receptor LXR-beta | / | 0.446 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.445 | |
| 1thn | ADP | Anti-sigma F factor | / | 0.444 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 2wu4 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3aw9 | GDU | NAD-dependent epimerase/dehydratase | / | 0.444 | |
| 4iwv | 1J9 | Glucokinase | 2.7.1.2 | 0.444 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1ja0 | FMN | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 4kwh | NAP | Reductase homolog | / | 0.441 | |
| 4nwi | CTN | 7-methylguanosine phosphate-specific 5'-nucleotidase | / | 0.441 | |
| 1p8d | CO1 | Oxysterols receptor LXR-beta | / | 0.440 | |
| 2gpj | FAD | Siderophore-interacting protein | / | 0.440 | |
| 3d4b | DZD | NAD-dependent protein deacetylase | / | 0.440 | |
| 3hky | IX6 | Genome polyprotein | 2.7.7.48 | 0.440 | |
| 4iah | 1DX | Alr2278 protein | / | 0.440 |