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 |
|---|---|---|---|
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 | 1.000 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.473 | |
| 1xkv | ATP | Phosphoenolpyruvate carboxykinase (ATP) | / | 0.459 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.458 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.457 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.454 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.453 | |
| 4oqy | NDP | (S)-imine reductase | / | 0.453 | |
| 4nd3 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.452 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.450 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.450 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.449 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.449 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.448 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.448 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.447 | |
| 1eq2 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.446 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 2dbz | NAP | Glyoxylate reductase | 1.1.1.26 | 0.445 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.445 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.445 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.444 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.443 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.443 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.442 | |
| 3rud | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.442 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.442 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.441 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.441 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.441 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.440 |