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 |
|---|---|---|---|
| 2oc9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2oc9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 1.000 | |
| 2oc4 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.598 | |
| 2q7o | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.548 | |
| 2on6 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.513 | |
| 2a0y | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.490 | |
| 2a0x | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.482 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.482 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.475 | |
| 2a0w | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.472 | |
| 2fj1 | CTC | Tetracycline repressor protein class D | / | 0.469 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.464 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.462 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.462 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.461 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.460 | |
| 3faz | NOS | Purine nucleoside phosphorylase | / | 0.460 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.459 | |
| 1rt9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.458 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.457 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.456 | |
| 1rfg | GMP | Purine nucleoside phosphorylase | 2.4.2.1 | 0.455 | |
| 1npd | NAD | Quinate/shikimate dehydrogenase | / | 0.453 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.453 | |
| 3iex | GMP | Purine nucleoside phosphorylase | / | 0.453 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.453 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 4b1r | ITC | Tetracycline repressor protein class D | / | 0.451 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.450 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.450 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 4w5k | PLP | Aspartate aminotransferase, mitochondrial | / | 0.448 | |
| 4b4v | L34 | Bifunctional protein FolD | / | 0.447 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.446 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.446 | |
| 3w6h | AZM | Carbonic anhydrase 1 | 4.2.1.1 | 0.446 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.445 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.444 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.444 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.443 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.443 | |
| 3bgs | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.442 | |
| 4a6r | TA8 | Probable aminotransferase | / | 0.442 | |
| 1ib0 | NAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.441 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.441 | |
| 2xfs | J01 | Uncharacterized protein | / | 0.441 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.441 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.440 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.440 |