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 |
|---|---|---|---|
| 4l7v | SAH | Protein-L-isoaspartate O-methyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4l7v | SAH | Protein-L-isoaspartate O-methyltransferase | / | 1.000 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.487 | |
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.483 | |
| 2qn3 | F55 | Glycogen phosphorylase, muscle form | 2.4.1.1 | 0.470 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.464 | |
| 1rr6 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.463 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.461 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3v2u | ATP | Protein GAL3 | / | 0.459 | |
| 1fml | RTL | Retinol dehydratase | / | 0.458 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.458 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.455 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.455 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.455 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.453 | |
| 4b4v | L34 | Bifunctional protein FolD | / | 0.453 | |
| 1rt9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.452 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.452 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.450 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.450 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 3px3 | T3Q | dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase | 2.1.1.235 | 0.448 | |
| 4mr9 | 2BX | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.448 | |
| 4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.448 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.447 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.446 | |
| 2hr8 | SAH | Diphthine synthase | / | 0.446 | |
| 2xei | ARK | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.446 | |
| 3e8x | NAP | BH1520 protein | / | 0.446 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.445 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.445 | |
| 3h06 | VBP | Glutamate receptor 2 | / | 0.445 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 4xnw | 2ID | P2Y purinoceptor 1 | / | 0.445 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2jlc | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.444 | |
| 2wat | COA | Fatty acid synthase subunit alpha | 2.3.1.86 | 0.444 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.444 | |
| 4kuh | CAA | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.444 | |
| 3a1c | ACP | Probable copper-exporting P-type ATPase A | 3.6.3.54 | 0.443 | |
| 4n4v | 2GY | Tankyrase-1 | 2.4.2.30 | 0.443 | |
| 3gkj | HC3 | Niemann-Pick C1 protein | / | 0.442 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.442 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.441 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.441 | |
| 4lk3 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.441 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.441 | |
| 1osv | CHC | Bile acid receptor | / | 0.440 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 4eqr | COA | Coenzyme A disulfide reductase | / | 0.440 |