(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZN9
File name: alatis_output_compound.sdf
|
Formula: Br1C3H9Pb1 Compound mass: 332.20719999999994 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 |
| ZN9 | 5U88 |
| ZN7 | 5U7C |
| PBM | 4DL0 1OCX 1PS1 5JPN 1EFN 1TIF |
| NEH | 3PHX 3O65 1YY2 3IHP 4EV2 6PGV 4FJV 3PHW 3POJ 5LRW 2IBI 3I3T |
| NTB | 1MTB 2FGU 2FGV |
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.