(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LU
File name: alatis_output_compound.sdf
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Formula: Lu1 Compound mass: 174.967 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 |
| LU | 2PES 1E8X 1PJL 4ORJ 2QMI 1DUH 1KHV 4JA3 2ZTB 5HLK 1M6E 1M3D 5F8A 3A7C 1PLU 4XHA |
| RU1 | 4W94 5OB6 3WVW 4W96 |
| 9Q8 | 5OBD 5OB7 5OB9 5OBE 5OBC 5OB6 |
| SFS | 5FF0 5FF4 5FEZ |
| 9QB | 5OB8 5OB7 |
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.