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 |
|---|---|---|---|
| 4xyb | NDP | Formate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4xyb | NDP | Formate dehydrogenase | / | 1.000 | |
| 4xye | NAD | Formate dehydrogenase | / | 0.631 | |
| 4l4x | NDP | AmphI | / | 0.516 | |
| 1rfg | GMP | Purine nucleoside phosphorylase | 2.4.2.1 | 0.482 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.466 | |
| 5bqf | NAP | Probable hydroxyacid dehydrogenase protein | / | 0.466 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.465 | |
| 3rha | FDA | Putrescine oxidase | / | 0.465 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.458 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.455 | |
| 4qi5 | FAD | Cellobiose dehydrogenase | / | 0.455 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.451 | |
| 1f4f | TP3 | Thymidylate synthase | / | 0.450 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.450 | |
| 3ggg | NAD | Prephenate dehydrogenase | / | 0.449 | |
| 4e2d | FMN | Dehydrogenase | / | 0.449 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.448 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.448 | |
| 3kyt | HC2 | Nuclear receptor ROR-gamma | / | 0.447 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.447 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.446 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.446 | |
| 4mih | FAD | Pyranose 2-oxidase | 1.1.3.10 | 0.446 | |
| 4wda | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.446 | |
| 3qfc | NAP | NADPH--cytochrome P450 reductase | / | 0.445 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.445 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.444 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 3qw4 | U5P | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative | / | 0.444 | |
| 5iw5 | NMN | NADH pyrophosphatase | / | 0.444 | |
| 3juq | AJD | Phenazine biosynthesis protein A/B | / | 0.443 | |
| 4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 1osv | CHC | Bile acid receptor | / | 0.442 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.442 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.442 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.440 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.440 |