(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9WV
File name: alatis_output_compound.sdf
|
Formula: C6H13N3O3 Compound mass: 175.1852000000001 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 |
| 9WV | 5W6R 5W6T |
| UM1 | 3GKR |
| 0FL | 1TMB |
| SUI | 2OWX 1GVU 1GVW 3URL 2VS2 3URJ 1OEW 2JJJ 3URI 2OWW 1GVT 1OEX 1GVV 2OWC 2JJI 1GVX 1GKT |
| 9BP |
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.