(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5IP
File name: alatis_output_compound.sdf
|
Formula: C6H17O21P5 Compound mass: 580.054899999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C6H7O6
Fragment probability: 1.00
Fragment mass: 175.11590000000004
Fragment main chain atoms: [2, 4, 6, 5, 3, 1]
Fragment all atoms: [2, 34, 23, 4, 36, 25, 6, 38, 27, 5, 37, 26, 3, 35, 24, 1, 33, 7, 39]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| IHP | 4Y94 5HP3 3HXN 5MOE 2LHA 2P1P 6BHT 1THB 2K8R 6BE0 5W3T 5TV1 6A73 3GCD 6CUS 5W40 3C6O 3FZY 5HP2 3RRN 4LV7 5HDT 6BU0 5ED2 6SYT 3UDZ 6BHS 6C9M 5W3X 2VGL 3PEU 3NTL 3C6P 4HNW 2P1N 6B4H 3EEB 3MMJ 5KLQ 5KLP 3PA8 2Q9P 3RRM 2P1M 4UQI 6QX9 6FF7 1ZY7 3PEE 6QW6 4O4F 5ED1 5W3Y 6O07 3HO6 6ES8 2FVV 1BQ3 1HG5 4WPC 6FF4 1NIH 6D06 6C95 6QH5 6AHD 5MZA 1ZSH 1DKQ 6BHR 2P1Q 3PEV 6H09 6AH0 1DKP 2P1O 6BK8 3C6N 3T9C |
| I0P | 4A69 |
| I4P | 1Z2O |
| K7V | 6GFH |
| KGN | 6GFG |
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.