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 |
|---|---|---|---|
| 4eue | NAI | Trans-2-enoyl-CoA reductase [NADH] |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4eue | NAI | Trans-2-enoyl-CoA reductase [NADH] | / | 1.000 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.495 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.481 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.471 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.467 | |
| 4k5p | 1OS | M1 family aminopeptidase | 3.4.11 | 0.467 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.464 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.463 | |
| 3oqf | S51 | Renin | 3.4.23.15 | 0.460 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.458 | |
| 4z5w | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.457 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.453 | |
| 2zaw | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 3tog | 079 | Gag-Pol polyprotein | 2.7.7.49 | 0.453 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.453 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.452 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.452 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 2ylx | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.450 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.449 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3bw4 | FMN | Putative 2-nitropropane dioxygenase | / | 0.448 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.448 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.447 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.447 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.446 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.445 | |
| 4a86 | H35 | Major pollen allergen Bet v 1-A | / | 0.445 | |
| 4hcy | 0YN | Transketolase | / | 0.444 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.443 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.443 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.442 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.442 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.441 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.440 | |
| 2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.440 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.440 |