(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HM6
File name: alatis_output_compound.sdf
|
Formula: C10H8N4O5 Compound mass: 264.1940000000001 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 |
| HM6 | 4BAL 4BAD |
| DCJ | 4BAP |
| XXE | 5WIO |
| B1J | 5Q29 |
| MHW | 4TOO 4TP9 4PEC 2Z2P 4TPB 4U1V 4U26 4TPF 1YIT 4TPD 4U27 4PEB 4TOM 1SM1 4U1U 1YJW |
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.