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 |
|---|---|---|---|
| 4er7 | AW3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2.1.1.43 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4er7 | AW3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2.1.1.43 | 1.000 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.472 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.465 | |
| 1gzu | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 | 2.7.7.1 | 0.459 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 3vqs | JT1 | Genome polyprotein | / | 0.453 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.452 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.452 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1ie8 | KH1 | Vitamin D3 receptor | / | 0.451 | |
| 4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 2w06 | FRV | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 3rmf | 20Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3unk | 0BY | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 1dfo | FFO | Serine hydroxymethyltransferase | 2.1.2.1 | 0.445 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.444 | |
| 4g6h | NAI | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.444 | |
| 1oiy | N41 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1ppj | ANY | Cytochrome b | / | 0.442 | |
| 2nni | MTK | Cytochrome P450 2C8 | / | 0.442 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.441 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.441 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.441 | |
| 2ldb | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.440 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.440 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.440 |