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 |
|---|---|---|---|
| 4qnr | ATP | Psp operon transcriptional activator |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4qnr | ATP | Psp operon transcriptional activator | / | 1.000 | |
| 4qos | ADP | Psp operon transcriptional activator | / | 0.563 | |
| 2c96 | ATP | Psp operon transcriptional activator | / | 0.510 | |
| 3ez2 | ADP | Plasmid partition protein A | / | 0.465 | |
| 1upw | 444 | Oxysterols receptor LXR-beta | / | 0.464 | |
| 3dol | GWI | Pol protein | / | 0.457 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.456 | |
| 2bx8 | AZQ | Serum albumin | / | 0.455 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.453 | |
| 2w6o | OA3 | Biotin carboxylase | 6.3.4.14 | 0.452 | |
| 1hqu | HBY | Gag-Pol polyprotein | 2.7.7.49 | 0.451 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.451 | |
| 4gmg | NAP | Yersiniabactin biosynthetic protein YbtU | / | 0.451 | |
| 1l2j | ETC | Estrogen receptor beta | / | 0.449 | |
| 2bgj | FAD | NADPH:ferredoxin reductase | / | 0.449 | |
| 4l8u | 9AZ | Serum albumin | / | 0.449 | |
| 1d7y | FAD | Ferredoxin reductase | / | 0.448 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.448 | |
| 4lb2 | DM5 | Serum albumin | / | 0.448 | |
| 1i7i | AZ2 | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 1tvr | TB9 | Gag-Pol polyprotein | 2.7.7.49 | 0.447 | |
| 4i3w | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.447 | |
| 4rw6 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.447 | |
| 3dok | GWJ | Pol protein | / | 0.445 | |
| 4h4m | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.445 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.445 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.444 | |
| 2dbr | NAP | Glyoxylate reductase | 1.1.1.26 | 0.444 | |
| 3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 3pe6 | ZYH | Monoglyceride lipase | / | 0.443 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.443 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.442 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.442 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.442 | |
| 1hnv | TBO | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.440 |