(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: UAP
File name: alatis_output_compound.sdf
|
Formula: C6H8O9S1 Compound mass: 256.18700000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.75
List of identified carbohydrate fragments:
-
C6H7O6
Fragment probability: 1.00
Fragment mass: 175.11590000000004
Fragment main chain atoms: [2, 4, 6, 14, 3, 1, 18, 7, 21, 20, 10, 23]
Fragment all atoms: [2, 4, 19, 15, 6, 14, 3, 5, 8, 9, 22, 1, 17, 18, 7, 21, 20, 10, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| UAP | 1FQ9 2HYV 5G2T 1BFC 1G5N 1T8U 5E9C 4PXQ 4RDA 3OJV 2HYU 1BFB |
| IXD | 3ILR |
| AQA | 5OLS 3ZSC |
| GCD | 5GX7 5GX6 1OFL 4A2M 5XS8 1OJM 3E7J 6BYX 1HMU 5GUB 6BYT 6D3U 1OJN 5UAS 3ANK 1C82 1OJO 1OFM 6INZ 1OJP 1HMW |
| MAW | 2ZAA 3EW4 4F13 3EVL 4E25 5H71 4XIG 3A09 4F10 4E23 3VLV 4TQU 1HV6 3AFL |
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.