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 |
|---|---|---|---|
| 1mzs | 669 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1mzs | 669 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 1.000 | |
| 2xw7 | NDP | Dihydrofolate reductase | / | 0.480 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.473 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.468 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.459 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.458 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.456 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.453 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.451 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.450 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.449 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.449 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.448 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.448 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.447 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3h86 | AP5 | Adenylate kinase | / | 0.446 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3w6u | NAP | 6-phosphogluconate dehydrogenase, NAD-binding protein | / | 0.446 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.446 | |
| 1gzu | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 | 2.7.7.1 | 0.445 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.445 | |
| 4wuo | NAD | 3-isopropylmalate dehydrogenase | 1.1.1.85 | 0.445 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 2ilv | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.443 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 2ylr | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.443 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.443 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.442 | |
| 4dja | FAD | (6-4) photolyase | / | 0.442 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.441 | |
| 1jnr | FAD | Adenylylsulfate reductase, subunit A (AprA) | / | 0.440 | |
| 1yqz | COA | Coenzyme A disulfide reductase | / | 0.440 |