(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7BU
File name: alatis_output_compound.sdf
|
Formula: C24F12H8N4Zn1 Compound mass: 645.7175999999995 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 7BU | 5TGY |
| 9D7 | 5VJS |
| ZND | 4TWV 4TWU |
| ZNH | 2B11 1I55 2K78 4MEC 1U75 4MXK 2B10 2BCN 3ASE 1I54 1YGD 2B0Z 1U74 2B12 4MXL |
| ZEM | 1ML2 |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.