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 |
|---|---|---|---|
| 4psb | GA3 | Cytokinin-specific binding protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4psb | GA3 | Cytokinin-specific binding protein | / | 1.000 | |
| 2flh | ZEA | Cytokinin-specific binding protein | / | 0.585 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.564 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.472 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.471 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.466 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.464 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.456 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3qj0 | QI3 | Botulinum neurotoxin type A | 3.4.24.69 | 0.450 | |
| 4eph | 0RK | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.448 | |
| 1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.447 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3qeo | LLT | Deoxycytidine kinase | 2.7.1.74 | 0.446 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.445 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.443 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.442 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 1tco | FK5 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.442 | |
| 1tco | FK5 | Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | 3.1.3.16 | 0.442 | |
| 2fj1 | CTC | Tetracycline repressor protein class D | / | 0.442 | |
| 3gnc | QQQ | Glutaryl-CoA dehydrogenase | / | 0.442 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.442 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.442 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.442 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.441 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.441 | |
| 1nhq | FAD | NADH peroxidase | 1.11.1.1 | 0.440 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.440 |