(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RP3
File name: alatis_output_compound.sdf
|
Formula: C5H11O7P1 Compound mass: 214.11000000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C5H9O4
Fragment probability: 1.00
Fragment mass: 133.12220000000002
Fragment main chain atoms: [3, 12, 5, 4, 1]
Fragment all atoms: [3, 18, 2, 16, 17, 11, 12, 5, 20, 7, 22, 4, 19, 6, 21, 1, 14, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| RP3 | 5CX8 |
| HSX | 3G6W 4L5J 6NFE 3M8Z 4LRF 1ZN7 5VN4 4LR8 5XQA 4XJS 4L51 3MBI |
| ABF | 3ENV 1O8B |
| RP5 | 5AJU 2R5N 3M7I 2OBC 1OGE 1QVJ 5LNW 4Z7J 2NX1 2C37 3UPT 5EBE |
| 1X4 | 4LRE 4LR9 4LRB |
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.