(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 32Y
File name: alatis_output_compound.sdf
|
Formula: C9H6I1N1O2 Compound mass: 287.0537 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 |
| 32Y | 4PNS |
| 4JQ | 4YRQ |
| COU | 3L5M 4UTI 3CRB 4UTL 3L68 1Z10 3L66 2PMJ 2H90 2PWB |
| MCM | 5DC7 5DC6 3EWF 5D1C 5EFN 5DC8 5XHS 2V5W 1VAI 5EFK 4QA5 4FZ3 5D1D 4QA6 5BWL 1VDN 4QA7 |
| 3AV | 4TY8 |
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
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.