(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TG
File name: alatis_output_compound.sdf
|
Formula: C9H11N5O7P1 Compound mass: 332.1863 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.36
List of identified carbohydrate fragments:
-
C4H6N1O3
Fragment probability: 1.00
Fragment mass: 116.09509999999999
Fragment main chain atoms: [3, 5, 8, 20, 1]
Fragment all atoms: [3, 26, 21, 5, 27, 15, 32, 8, 28, 14, 20, 1, 23, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TG | 6MU5 |
| 3GP | 1RGC 1XZ8 3DH2 2SAR 1RLS 4HI6 1LOY 1RGA 3WR2 3GSP 4GSP 1LOV 5GSP 1RMS 1LOW 1GOY 6GSP 4W8X 3D4A 2GSP |
| PGP | 5RNT 3QRP 1DUH 3URP |
| 3PD | 3VJ7 2DJH |
| 18M | 4HQX 4HQU |
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.