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 |
|---|---|---|---|
| 3ipt | EQU | Steroid Delta-isomerase | 5.3.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ipt | EQU | Steroid Delta-isomerase | 5.3.3.1 | 1.000 | |
| 1e3r | AND | Steroid Delta-isomerase | 5.3.3.1 | 0.548 | |
| 3fzw | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.512 | |
| 1e3v | DXC | Steroid Delta-isomerase | 5.3.3.1 | 0.501 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.496 | |
| 3oq1 | 3OQ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.481 | |
| 1w22 | NHB | Histone deacetylase 8 | 3.5.1.98 | 0.480 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.475 | |
| 2zym | ACX | Periplasmic binding protein | / | 0.471 | |
| 4qa2 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.471 | |
| 1cqs | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.470 | |
| 3t8x | T8X | T-cell surface glycoprotein CD1b | / | 0.469 | |
| 1ogx | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.466 | |
| 3byz | H11 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.466 | |
| 2zsd | COA | Pantothenate kinase | 2.7.1.33 | 0.461 | |
| 3bfa | 9OD | Odorant binding protein ASP1 | / | 0.458 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.457 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.457 | |
| 4g20 | 484 | Vitamin D3 receptor A | / | 0.454 | |
| 4qa1 | B3N | Histone deacetylase 8 | 3.5.1.98 | 0.454 | |
| 1gs3 | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.453 | |
| 2b1i | 93A | Bifunctional purine biosynthesis protein PURH | 2.1.2.3 | 0.453 | |
| 2zyn | BCD | Periplasmic binding protein | / | 0.453 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.453 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.453 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.452 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.452 | |
| 1kt3 | RTL | Retinol-binding protein 4 | / | 0.451 | |
| 1rf9 | DBR | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2wd8 | VGF | Pteridine reductase | / | 0.451 | |
| 3d3e | D3E | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.451 | |
| 3ipq | 965 | Oxysterols receptor LXR-alpha | / | 0.451 | |
| 2zb8 | IMN | Prostaglandin reductase 2 | 1.3.1.48 | 0.450 | |
| 3bzu | A21 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.449 | |
| 3ch6 | 311 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.449 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.449 | |
| 4l8u | 9AZ | Serum albumin | / | 0.449 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.448 | |
| 3fco | IIG | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.448 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.447 | |
| 4g1d | 0VK | Vitamin D3 receptor A | / | 0.447 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 3ey4 | 352 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.445 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.445 | |
| 1rd4 | L08 | Integrin alpha-L | / | 0.444 | |
| 1rdt | L79 | Retinoic acid receptor RXR-alpha | / | 0.444 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.444 | |
| 1p8d | CO1 | Oxysterols receptor LXR-beta | / | 0.443 | |
| 2ilt | NN1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 1brp | RTL | Retinol-binding protein 4 | / | 0.442 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 3ows | EQU | Steroid Delta-isomerase | 5.3.3.1 | 0.441 | |
| 4p2l | FAD | Sulfhydryl oxidase 1 | 1.8.3.2 | 0.441 | |
| 1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.440 | |
| 2w98 | P1Z | Prostaglandin reductase 2 | 1.3.1.48 | 0.440 | |
| 4ez8 | DHF | Thymidylate synthase | 2.1.1.45 | 0.440 |