(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MCW
File name: alatis_output_compound.sdf
|
Formula: C7H6O3 Compound mass: 138.12050000000002 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 |
| MCW | 3HSW |
| KIA | 3FU7 |
| 1WG | 4LBP |
| UQ1 | 2LTQ 3E9J 2LEG 2ZUP 4N9Q 2YBB 1ZOY 2I5N 2ZUQ 5C3J 2VPX 3D38 3I4D 3G7F 2HI7 1PRC 4TQQ |
| UQ2 | 2UWU 2K74 2UWT 1R2C 2PRC 1SQV 2QJY 1SQX 2UX5 4GAV 1NTZ 2UXM 2UWS 2UXJ 1NEK 2UXK 2UWW 2UWV 1SQQ 2UX4 2UX3 2UXL |
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.