(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: H6P
File name: alatis_output_compound.sdf
|
Formula: C5H12O8P2 Compound mass: 262.0911000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.65
- Compound probability: 0.47
List of identified carbohydrate fragments:
-
C5H9O2
Fragment probability: 0.65
Fragment mass: 101.1234
Fragment main chain atoms: [3, 2, 5, 4]
Fragment all atoms: [3, 20, 21, 12, 2, 19, 5, 1, 16, 17, 18, 4, 22, 23, 6, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| H6P | 3SZL 3T0G 4S23 4K55 4S39 6J0K 3T0F 6J0G 3SZO 3SZU 5ZXK |
| DMA | 3OYR 3Q1O 3P41 3PDE 1UBY 2ZRX 3B06 4GP2 5XK9 5YNT 6QLG 5YNU 4TQ4 3KEF 5XK7 2ZRZ 4GP1 3EPL 2ICK 3QQV 1YHL 3Q2Q |
| 10E | 3ZGL 4H4D |
| 10D | 4H4C |
| 10G | 4H4E 3ZGN |
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.