(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SNF
File name: alatis_output_compound.sdf
|
Formula: C15H16N4Ni1 Compound mass: 311.00710000000004 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 |
| SNF | 4KXI |
| TPT | 3RO0 1HCX 3RO1 1QNQ 1B7E 2ZZB |
| BPP | 1D4P |
| F43 | 1HBU 5A8W 1HBM 5A8R 5A8K 3M32 5N1Q 5N2A 3M2V 5G0R 3M1V 1HBO 1E6V 5A0Y 5N28 1HBN 3M2R 1MRO 3M30 1E6Y 3POT 3M2U |
| HNI | 1FN3 5X2T 4N7O 5X2S 5X2R 1J41 1J3Z 4N7P 1J3Y 5X2U 1NIH 1J40 |
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.