(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B3I
File name: alatis_output_compound.sdf
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Formula: C7H3I3O2 Compound mass: 499.81089999999995 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 |
| B3I | 1BKE |
| DIU | 4JK4 5OSW 4LUH 3B56 4J2V 2BXL |
| IHB | 3PCI |
| IOB | 1QK0 |
| I3C | 4BVX 6MRY 3E3D 5E9O 4N6D 6EG7 3E3T 5U84 4BJW 6JZE 5OLI 3E3S 6QE4 3E79 3GT4 5L1A 6PBB 4B9H 5FOR 3Q7S 4NC7 4ARR 2Y1B 6O43 |
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.