(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9UX
File name: alatis_output_compound.sdf
|
Formula: H6O2S2 Compound mass: 102.17620000000002 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 |
| 9UX | 6A71 6A72 |
| CUK | 3SBP 3SBR 3SBQ 6RL0 |
| SF3 | 5A4M 5ADU 6FPI 5JRD 5LMM 3USE 1UPX 3AYZ 3AYY 6FPW 3USC 5LRY 5Y34 5A4F 6G7R 5A4I 4UE3 6GAL 6FPO 1OA0 1OA1 |
| F4S | 4TTT 3UQY 3AYZ 3AYX 5MDJ 5MDK 5MDL 4C3O 4GD3 3RGW 3USE 5D51 |
| LPJ | 6O7S |
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.