(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 35N
File name: alatis_output_compound.sdf
|
Formula: C16Cu1H16N4 Compound mass: 327.8704 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 |
| 35N | 4QKQ |
| MR3 | 2OU0 |
| 0PY | 3V36 3GUP |
| 5MP | 1LI6 |
| IND | 2B24 1L4H 4EAN 2P85 5XDC 4PEN 5LVW 5XDD 1UUV 1O7N 4UUJ 2XVJ 185L 3SNM 3Q8I 1EG9 |
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.