(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AX7
File name: alatis_output_compound.sdf
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Formula: C7H7N3 Compound mass: 133.15030000000002 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 |
| AX7 | 3KQS 3GN1 5PAR 5Z9L 6EQ5 5Z4H 5SWG 5Z4O 5Z9E 5Z9P 5Z9B 5Z9F 5Z9Q |
| 1M2 | 4JMZ |
| BZI | 4XV5 4HPX 1RYC 5K1L 1KXM 5PHK 4NVE 4XVA 4DSU 1L5F |
| AXV | 5Q1W |
| ES7 | 3KQT 5QEK |
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.