(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TTD
File name: alatis_output_compound.sdf
|
Formula: C20H28N4O15P2 Compound mass: 626.4005999999982 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.22
List of identified carbohydrate fragments:
-
C5H7N1O3
Fragment probability: 1.00
Fragment mass: 129.1137
Fragment main chain atoms: [4, 8, 10, 38, 12]
Fragment all atoms: [4, 50, 51, 8, 57, 39, 10, 59, 6, 54, 55, 35, 38, 12, 61, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TTD | 4A0A 4A08 6H68 1SL2 1SKS 3PZP 5ZCW 3MFI 5B24 3SI8 4A0B 6O6C 3MR3 3MR5 4A09 3MR4 6H67 3MR6 1SL1 |
| TT | 2XRZ 2JA8 2JA7 2JA6 4A93 |
| TDY | 2WQ7 2WQ6 |
| 64P | 2WB2 |
| QBT | 4M94 5FUY 2Y1J 5FUX 5FUW |
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.