(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T1C
File name: alatis_output_compound.sdf
|
Formula: C29H41N5O8 Compound mass: 587.6628999999978 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.39
- Compound probability: 0.12
List of identified carbohydrate fragments:
-
C4H9N1
Fragment probability: 0.39
Fragment mass: 57.113899999999994
Fragment main chain atoms: [1, 28, 2]
Fragment all atoms: [1, 43, 44, 45, 28, 3, 49, 50, 51, 31, 2, 46, 47, 48]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| T1C | 5J91 4A6N 3V3O 5J8A 4G5T 4ABZ 4V9B 4YHH 4G5V |
| ATC | 1ORK |
| MIY | 4A99 2XPV 3V3N 4DX5 4U8V 6RBM 2DRD 6QJX 3AOD 2WQ5 4U8Y 4AC0 5ENT 4U95 |
| XTC | 4AUX |
| DXT | 6RBL 5OM2 6RGX 2O7O 2XRL 6RCR 5OM3 |
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.