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 |
|---|---|---|---|
| 2ihv | TPP | N(2)-(2-carboxyethyl)arginine synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ihv | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 1.000 | |
| 2ihu | TP9 | N(2)-(2-carboxyethyl)arginine synthase | / | 0.577 | |
| 1upc | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.556 | |
| 1upa | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.544 | |
| 2iht | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.544 | |
| 1upb | TPP | N(2)-(2-carboxyethyl)arginine synthase | / | 0.538 | |
| 2jla | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.471 | |
| 2pan | TDP | Glyoxylate carboligase | 4.1.1.47 | 0.470 | |
| 4zp1 | TPP | Pyruvate decarboxylase | 4.1.1.1 | 0.470 | |
| 2c3o | TPP | Pyruvate synthase | / | 0.469 | |
| 2q5o | PPY | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.467 | |
| 2ag0 | TPP | Benzaldehyde lyase | / | 0.459 | |
| 2q5o | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.459 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.455 | |
| 1kek | HTL | Pyruvate synthase | / | 0.451 | |
| 2pda | TPP | Pyruvate synthase | / | 0.450 | |
| 4fwe | FAD | Lysine-specific histone demethylase 1B | 1 | 0.450 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.448 | |
| 2q5q | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.448 | |
| 2v3w | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.448 | |
| 2uz1 | TPP | Benzaldehyde lyase | / | 0.447 | |
| 2uza | HTL | Pyruvate synthase | / | 0.447 | |
| 1ppj | ANY | Cytochrome b | / | 0.445 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.445 | |
| 1ozh | HE3 | Acetolactate synthase, catabolic | 2.2.1.6 | 0.444 | |
| 2qqf | A1R | NAD-dependent protein deacetylase HST2 | 3.5.1 | 0.444 | |
| 1ovm | TPP | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.443 | |
| 2dwb | ANP | Aurora kinase A | 2.7.11.1 | 0.443 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.443 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 4f32 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | / | 0.442 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.441 | |
| 2c42 | TPP | Pyruvate synthase | / | 0.441 | |
| 2c31 | TZD | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.440 | |
| 2vk8 | TPP | Pyruvate decarboxylase isozyme 1 | / | 0.440 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.440 | |
| 3vw6 | IM6 | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.440 | |
| 4eh8 | IRG | Mitogen-activated protein kinase 14 | / | 0.440 |