(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HNN
File name: alatis_output_compound.sdf
|
Formula: C34H36Mn1N4O4 Compound mass: 619.6105999999979 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| HNN | 3WI8 5YL3 |
| 76R | 5T2K |
| MNR | 2FEU 2O58 2O5O 2O5M 2FE6 3QUH 2O5L 2FER |
| HME | 2D6C |
| MNH | 2AYL 4IT2 5ZIS 4U9J 6DS8 4U9K 5ZLH 2O5Q 2O5B |
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.