(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 182
File name: alatis_output_compound.sdf
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Formula: C13H14N2O4Se1 Compound mass: 341.2207000000001 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 |
| 182 | 1U1E |
| T5S | 4RHD 5USA 5USG 3LTU 5USE 3BM0 |
| BAU | 3EUF 3P0E 1U1C 3P0F |
| DDU | 1DDU 1AOB |
| DUR | 1RXS 4AOO 6K5K 4APZ 2I7D 5Y5P 1OE5 4V31 4B0H 6MJK 2C53 1BDU 4AOZ 2YB0 1TDU 5IOQ 3KUK |
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.