(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LI
File name: alatis_output_compound.sdf
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Formula: Li1 Compound mass: 6.941 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 |
| LI | 2CYD 5FTI 5NG9 5W8S 3D2O 6Q60 2I3H 3USE 6JQ1 4O3C 2V8U 5LRY 1HJJ 6DOY 3GTA 6A85 4A05 3TXA 1TW6 2O4F 6GAL 6FPO 3GP6 5FHM 2I61 5I5C 3HHI 1RKB 5VYQ 3C31 2V8T 5I5B 3B6O 4ELC 4A9V 6Q54 2I3I 5TVK 3IFS 1H4E 5CMK 2ECS 4CLM 5FOH 5ZLR 1NQJ 5LMM 5G02 4TPN 1E5K 3USC 5XVS 1MGW 4K1E 4HGZ 3HZD 3DXS 2JHT 4UE3 1HJL 1KNW 3IIL 3QEU 4AMF 5O4J 2ONE 4FAT 3IJ3 1VMG 3F7I 6DP8 5DJG 4P3V 2V1M 1DGD 5I5A 3F7H 4IGT 3L4P 1H4D 5NFM 1H4C 5NFK |
| IS8 | 6GNQ 5K90 |
| TOU | 2F4A 2F5W 4WP4 |
| KCS | 3K7K |
| MTF |
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
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.