(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 602
File name: alatis_output_compound.sdf
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Formula: C11H19N5O7S1 Compound mass: 365.36210000000005 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 |
| 602 | 5FAT 5FAP |
| C8V | 6B1J 6B1W |
| 5VR | 5FAS 5FA7 |
| C9D | 6B1X |
| NXL | 4S2I 6D3G 6Q5B 4HBU 4OOY 6BPF 6H2H 5ZA2 5NE3 4HEF 4S2K 4S2J 5MNU 4WMC 6MZ1 4S2O 6MZ2 4S2N 4ZAM 6FJ1 4DF6 4ZBE 5MOZ 5MOX 6FM7 6GTH 6G9F 4WM9 6MKQ 5GWA |
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.