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 |
|---|---|---|---|
| 4co4 | ATP | Nitrogen regulatory protein P-II 1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4co4 | ATP | Nitrogen regulatory protein P-II 1 | / | 1.000 | |
| 4ozn | ATP | Ammonium transporter | / | 0.535 | |
| 3ncq | ATP | Nitrogen regulatory protein P-II (GlnB-2) | / | 0.533 | |
| 2xzw | ATP | Nitrogen regulatory protein P-II | / | 0.523 | |
| 4cnz | ADP | Nitrogen regulatory protein P-II 1 | / | 0.511 | |
| 3ncr | ADP | Nitrogen regulatory protein P-II (GlnB-2) | / | 0.502 | |
| 3mhy | ATP | Nitrogen regulatory protein P-II 1 | / | 0.497 | |
| 3ta0 | ATP | Nitrogen regulatory protein P-II (GlnB-3) | / | 0.491 | |
| 2zz0 | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.483 | |
| 2xul | ATP | Nitrogen regulatory protein P-II | / | 0.475 | |
| 4fxy | 0W2 | Neurolysin, mitochondrial | 3.4.24.16 | 0.473 | |
| 3ta1 | ADP | Nitrogen regulatory protein P-II (GlnB-3) | / | 0.466 | |
| 2uzw | SS4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.458 | |
| 1bsv | NDP | GDP-L-fucose synthase | / | 0.455 | |
| 2y8l | ADP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.455 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.453 | |
| 1qy8 | RDI | Endoplasmin | / | 0.453 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.453 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.453 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.453 | |
| 4tyq | AP5 | Adenylate kinase | / | 0.452 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.451 | |
| 3ijd | C2F | Methylenetetrahydrofolate reductase | / | 0.451 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 2bun | FAD | AppA protein | / | 0.450 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 4r1l | ADP | Phenylacetate-coenzyme A ligase | / | 0.450 | |
| 2f3r | G5P | Guanylate kinase | 2.7.4.8 | 0.448 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.448 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.448 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.448 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.448 | |
| 5c46 | GSP | Ras-related protein Rab-11A | / | 0.445 | |
| 1sny | NAP | LD36273p | / | 0.444 | |
| 3w2n | ROD | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.444 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.444 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 3tjs | D0R | Cytochrome P450 3A4 | / | 0.443 | |
| 3ogw | IMN | Lactoperoxidase | 1.11.1.7 | 0.442 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.442 | |
| 2ele | SAH | Diphthine synthase | / | 0.440 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 4i6g | FAD | Cryptochrome-2 | / | 0.440 | |
| 4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.440 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.440 |