(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: YLL
File name: alatis_output_compound.sdf
|
Formula: C7H14O6 Compound mass: 194.1819000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C7H14O6
Fragment probability: 1.00
Fragment mass: 194.18190000000007
Fragment main chain atoms: [4, 6, 7, 5, 3, 2]
Fragment all atoms: [4, 18, 10, 24, 6, 20, 12, 26, 7, 21, 13, 27, 5, 19, 11, 25, 3, 17, 9, 23, 2, 16, 1, 14, 15, 8, 22]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| M96 | 6FWO 6FWM |
| YLL | 2JAL |
| CBU | 4MJL 2VT0 3V1H |
| INS | 2OS9 4YO7 3V16 3NTR 4RU1 1PTG 4XF7 5YSP 4RXM 5YA8 6B5Z 4IRX 3NT4 4RV3 5FYR 3V1H 2R71 6S2A 1IEV 1Y7V 4XF6 5YSQ 4I9T 4F2B 4S3G 3BXD 2X1I 2HUO 1G0I 4MIY 4WRE 1AOD 4MIO 3EA2 4WUW |
| HQ8 | 6Q8N |
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.