(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: U0E
File name: alatis_output_compound.sdf
|
Formula: C28H52N8O6 Compound mass: 596.7603999999974 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 |
| U0E | 1GNM 1AXA 1GNO 1A9M 1GNN |
| KVS | 3DCR 3NWX 3NXN |
| KVI | 3DCK |
| 1ZD | |
| 2NC | 3HLO 3HBO 2AOD 3HZC 1FGC 2AVM 2AOC 3I2L 3UHL 3FSM 1FG6 2AOG 3KA2 3HAW 2AVQ 3NXE 4HVP 3IAW 6O5A 1FEJ 1FFI 3NWQ 2J9K 3BVA 2O40 3HDK 3HAU 6O57 3NYG 1FF0 3IA9 |
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.