(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: E69
File name: alatis_output_compound.sdf
|
Formula: C26H49N11O6 Compound mass: 611.7353999999976 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 |
| E69 | 4QBB |
| KVI | 3DCK |
| 1ZD | |
| 2NC | 3HLO 3HBO 2AOD 3HZC 1FGC 2AVM 2AOC 3I2L 3UHL 3FSM 1FG6 2AOG 3KA2 3HAW 2AVQ 3NXE 4HVP 3IAW 6O5A 1FEJ 1FFI 3NWQ 2J9K 3BVA 2O40 3HDK 3HAU 6O57 3NYG 1FF0 3IA9 |
| E64 | 2BDZ 3BPF 2UZJ 1ATK 4D8E 3H7D 5MUA 6MIS 2PRE 1TLO 1AEC 5MU9 1QX6 3C9E 1MEG 6BJD 3BCN 3IOQ 5A24 6A0Q 1CV8 |
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.