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 |
|---|---|---|---|
| 1ez0 | NAP | NADP-dependent fatty aldehyde dehydrogenase | 1.2.1.4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ez0 | NAP | NADP-dependent fatty aldehyde dehydrogenase | 1.2.1.4 | 1.000 | |
| 1a4z | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.480 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.480 | |
| 2dsh | SAH | Diphthine synthase | / | 0.475 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.470 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.467 | |
| 1f4g | TP4 | Thymidylate synthase | / | 0.464 | |
| 1n4p | CYS_VAL_ILE_LEU_GER | Geranylgeranyl transferase type-1 subunit beta | 2.5.1.59 | 0.458 | |
| 1f4f | TP3 | Thymidylate synthase | / | 0.457 | |
| 1n83 | CLR | Nuclear receptor ROR-alpha | / | 0.457 | |
| 1pr0 | NOS | Purine nucleoside phosphorylase DeoD-type | / | 0.456 | |
| 4i8p | NAD | Aminoaldehyde dehydrogenase 1 | / | 0.456 | |
| 2e7r | SAH | Diphthine synthase | / | 0.454 | |
| 2ejz | SAH | Diphthine synthase | / | 0.453 | |
| 1kvk | ATP | Mevalonate kinase | 2.7.1.36 | 0.450 | |
| 2vb8 | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.450 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.449 | |
| 2ed3 | SAH | Diphthine synthase | / | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.448 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.448 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.448 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4qzu | RTL | Retinol-binding protein 2 | / | 0.446 | |
| 5eow | FAD | 6-hydroxynicotinate 3-monooxygenase | 1.14.13.114 | 0.446 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 1ycf | FMN | Nitric oxide reductase | 1 | 0.445 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.445 | |
| 4jx1 | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 2dsi | SAH | Diphthine synthase | / | 0.444 | |
| 4fqs | LYA | Thymidylate synthase ThyA | / | 0.444 | |
| 1boo | SAH | Modification methylase PvuII | 2.1.1.113 | 0.443 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.443 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.443 | |
| 3gyu | DL7 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.443 | |
| 3r5y | F42 | Uncharacterized protein | / | 0.443 | |
| 4jey | PLP | Acetylornithine/succinyldiaminopimelate aminotransferase | 2.6.1.11 | 0.443 | |
| 4n3l | 2FN | Prothrombin | 3.4.21.5 | 0.443 | |
| 4nbb | 9CA | Terminal oxygenase component of carbazole | / | 0.443 | |
| 1pke | 2FD | Purine nucleoside phosphorylase DeoD-type | / | 0.442 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 1h35 | R01 | Squalene--hopene cyclase | 4.2.1.129 | 0.441 | |
| 1ja0 | FAD | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 1uxv | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 4afh | L0B | Achbp | / | 0.441 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.440 | |
| 4iah | 1DX | Alr2278 protein | / | 0.440 |