(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IYR
File name: alatis_output_compound.sdf
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Formula: C9H10I1N1O3 Compound mass: 307.0847 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 |
| IYR | 2D98 5V7F 3TNZ 4TVC 1XXZ 2ZP1 2D8W 2D97 1XY9 2ZXV 4EBK 1WQ3 4TTC 5KO8 5EMS 3VN3 2R1Q 4TVD 1CF0 4TTU 2Z10 4IKM 5EHB 6JQA 3GFD 2D8P 2Z11 2D8O 6D0Y |
| TYI | 2D8W 2C3V 3GH8 6JQA 4PGC 2D8P 4TVC 5N1C 1L0S 4IKM 4TVD 4TTU 2NOO 2VLW 2AXE 2D98 2D97 1CTP 2D8O |
| 33S | 4TQD |
| TYR_LFZW_DHH | |
| TYR_LEO2 |
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.