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 |
|---|---|---|---|
| 1vgr | COA | Formyl-CoA:oxalate CoA-transferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1vgr | COA | Formyl-CoA:oxalate CoA-transferase | / | 1.000 | |
| 2vjm | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.532 | |
| 1vgq | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.523 | |
| 1p5r | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.522 | |
| 1t3z | CAO | Formyl-CoA:oxalate CoA-transferase | / | 0.511 | |
| 1xp8 | AGS | Protein RecA | / | 0.480 | |
| 5dw6 | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.473 | |
| 4cf7 | ADP | Adenylate kinase | / | 0.461 | |
| 4yek | THM | Thymidine phosphorylase | / | 0.461 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.459 | |
| 4h6p | FMN | Chromate reductase | / | 0.458 | |
| 3zei | AWH | O-acetylserine sulfhydrylase | / | 0.456 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.455 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.455 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.454 | |
| 1ftl | DNQ | Glutamate receptor 2 | / | 0.453 | |
| 3dr7 | GPD | GDP-perosamine synthase | / | 0.453 | |
| 3upf | 0BU | Polyprotein | / | 0.453 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.453 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.451 | |
| 1tou | B1V | Fatty acid-binding protein, adipocyte | / | 0.450 | |
| 3ixp | 834 | Ecdysone receptor | / | 0.449 | |
| 1eii | RTL | Retinol-binding protein 2 | / | 0.448 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.448 | |
| 3lxk | MI1 | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.448 | |
| 4i8x | 6P3 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.448 | |
| 4wso | NAD | Probable nicotinate-nucleotide adenylyltransferase | / | 0.447 | |
| 2zrj | AGS | Protein RecA | / | 0.445 | |
| 3q1f | YPP | Beta-lactamase | / | 0.445 | |
| 4m5p | FMN | NADPH dehydrogenase | / | 0.445 | |
| 4wda | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.445 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.444 | |
| 4ytn | FAD | Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial | / | 0.444 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.443 | |
| 3iqh | TYR_ASP_ILE | Cysteine synthase | 2.5.1.47 | 0.442 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.442 | |
| 4qai | FMN | NADPH dehydrogenase | / | 0.442 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 2gde | SN3 | Prothrombin | 3.4.21.5 | 0.440 | |
| 4loi | 1YC | Stimulator of interferon genes protein | / | 0.440 |