(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SIR
File name: alatis_output_compound.sdf
|
Formula: C42Co1H44N4O16 Compound mass: 919.7473999999979 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 |
| SIR | 2XWQ 2XWP |
| HCO | 1QYZ |
| DEU | 1PYZ 1VL3 |
| COH | 3QH0 5JVZ 3OLU 5IKQ 1YOG 5KIR 1COH 4RUT 2ZDP 3HS5 5JW1 1DIY 5JVY 3OLT 3HS6 3KRK 3MDL 1IGZ 5FDQ 5IKV 3HS7 2O5S 4E1G 3QZP 1FE2 1U67 5IKR 3TZI 5F1A 4N73 5F19 1LFM 5IKT 1YOI 2O5T 1IGX 1YOH |
| HE5 | 2IN4 3RJN |
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.