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 |
|---|---|---|---|
| 4o95 | 245 | Cytokinin dehydrogenase 4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4o95 | 245 | Cytokinin dehydrogenase 4 | / | 1.000 | |
| 4oal | 245 | Cytokinin dehydrogenase 4 | / | 0.589 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.541 | |
| 1w1r | ZEA | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.533 | |
| 3s1c | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.521 | |
| 1e7v | LY2 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.472 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.471 | |
| 4gb9 | 0WR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.471 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.467 | |
| 3kjm | 245 | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.467 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.466 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.465 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.454 | |
| 3cse | N22 | Uncharacterized protein | / | 0.454 | |
| 3w0y | DS4 | Vitamin D3 receptor | / | 0.454 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
| 2har | OCC | Vitamin D3 receptor | / | 0.453 | |
| 1rkh | VD2 | Vitamin D3 receptor | / | 0.451 | |
| 1fml | RTL | Retinol dehydratase | / | 0.450 | |
| 3dds | 26B | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.449 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.449 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.449 | |
| 4mv8 | ACP | Biotin carboxylase | 6.3.4.14 | 0.449 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.447 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.447 | |
| 2o4r | VD5 | Vitamin D3 receptor | / | 0.446 | |
| 2zla | VDB | Vitamin D3 receptor | / | 0.446 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.446 | |
| 4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 1so2 | 666 | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.445 | |
| 2a4z | BYM | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 3ibe | L64 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.444 | |
| 1e8x | ATP | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.443 | |
| 4yx6 | FMN | Omega-3 polyunsaturated fatty acid synthase subunit PfaD | / | 0.443 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3v94 | WYQ | Phosphodiesterase | / | 0.442 | |
| 2pul | ACP | Methylthioribose kinase | 2.7.1.100 | 0.441 | |
| 1qkn | RAL | Estrogen receptor beta | / | 0.440 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.440 | |
| 4o71 | CPB | Bromodomain-containing protein 4 | / | 0.440 |