(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SGP
File name: alatis_output_compound.sdf
|
Formula: C10H12N5O6P1S1 Compound mass: 361.2705 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H7N1O4
Fragment probability: 1.00
Fragment mass: 145.11310000000003
Fragment main chain atoms: [5, 6, 9, 19, 3]
Fragment all atoms: [5, 28, 20, 6, 29, 21, 9, 30, 15, 19, 3, 27, 1, 24, 25, 16, 34]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SGP | 7GSP 1RSN 4GSP 1GSP 3GSP 2GSP 3D5I |
| 6ZA | 5L0N |
| 9K9 | 5ZSM 5ZSL |
| 23G | 6H9I 4C8Z 5CD4 4C9D 5H9E 3QRR 6IF5 6H9H 4QKA 4TVX 5H9F 1VY9 4QK8 4QK9 1VY8 |
| GPG | 2EA1 2RNT |
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.