(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7WO
File name: alatis_output_compound.sdf
|
Formula: C11H8O2 Compound mass: 172.17970000000008 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 |
| 7WO | 5U16 |
| NK | 4JZ6 2PIR |
| 23A | 2DVX |
| HBA | 5E4M 3ATZ 1EB9 5K1K 5V4P 4JIP 1Z42 2VQ5 3ZOE 1K03 3HGJ 5DY3 1OYB 4RNV 2GQ9 4TMC 3ZOC 4JQN |
| 1HN | 3NKT |
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.