(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: Y1
File name: alatis_output_compound.sdf
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Formula: Y1 Compound mass: 88.9059 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 |
| YT3 | 6MI5 3K38 4WFD 3SYX 4YHU 4PHG 3V3C 4OR5 1ST0 3SAG 3PH5 4G6U 3BFW 2AHX 3N9D 6NFQ 3SAF 3PH6 3K3A 1XVQ 2R3C 3K39 3N9B 3BOF 1NC2 1K7L 2BEC 5U62 4IAW 2E80 1RVG 3SAH 5U5T 3DSZ 1ST4 2E81 1XKG 3BEJ 3IO1 4IAX 3BOL |
| Y1 | 6NDG 2C1C 1DDE 1FS8 1FS9 1LVA 1R6Q 3BNJ 6PRF 4YHQ 4YE3 3BNF 3UF3 1FS7 3H1W 1R6O 3BNH 3BNG 1PY0 |
| 3PO | 3OTB 3CI3 4TNX 5A66 3TVL 1WPL 5A61 2PX8 4ODJ 5A5Y 5N95 5MZA 4WYW 1F5A 2HPM 6D5X 5A60 1CUL 5A67 6K32 6QVA 5T8S |
| 9PI | 6QVA 5LL0 |
| 6YY | 5LLF |
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.