(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5CU
File name: alatis_output_compound.sdf
|
Formula: C5H4N2O4 Compound mass: 156.0961 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 |
| 5CU | 4LAM 4LAL |
| FYU | 5C3S |
| HMU | 1OE6 5C3R 4FNC |
| TDR | 4QSU 4HN1 4MZU 4TXM 2HRD 2O5C 2HN9 2J0F 3FS8 4OGL 2O5E 4O9E 5C3Q 6K8P 1TPT 1IQU 3RO7 |
| 1RT | 4JGC |
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.