(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P3F
File name: alatis_output_compound.sdf
|
Formula: C18F3H18N4O7P1 Compound mass: 490.3264 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.32
- Compound probability: 0.27
List of identified carbohydrate fragments:
-
C4H3N3O2
Fragment probability: 0.32
Fragment mass: 135.1232
Fragment main chain atoms: [7, 24, 25, 15, 8, 23, 17]
Fragment all atoms: [7, 42, 24, 25, 15, 26, 8, 43, 44, 23, 17, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| P3F | 2FQ6 |
| EWE | 6GE8 |
| BLP | 2GQN |
| PLG | 4LNM 3WGB 5XMT 4TN4 5GVL 1EJI 5GVM 5YFY 5XMQ 6I35 1DFO 5YG0 4TMR 3WGC 5YG2 1LW5 5YG3 2BWP 5XMP 5GVP 5GVN 5YG4 6CD1 5YFZ 4WXF 5XMV 2WK9 5XMS 3WLX 5GVK 5XMU 5YG1 4HF8 1SZR 4LNL 5XMR 1RVY |
| 5PA | 1J0D 1J0B 1D7R 4D96 |
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.