(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MA7
File name: alatis_output_compound.sdf
|
Formula: C11H17N5O6P1 Compound mass: 346.25570000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.39
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [2, 6, 7, 22, 8]
Fragment all atoms: [2, 27, 28, 6, 33, 17, 38, 7, 34, 3, 29, 30, 21, 22, 8, 35, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MA7 | 3I2O 2FDI 3BIE 5UZI 4ZHN 2FDH 3BTY 2FD8 3BI3 3H8O 2FDF 3BUC 5ULX 5ULW 2FDK 2FDG |
| OAH | 3OAH |
| 0DA | 5VY7 4WB2 4WB3 |
| DA | |
| A3A | 1S0T 2LIB 1S75 1S74 |
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.