(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 76R
File name: alatis_output_compound.sdf
|
Formula: C36H36Mn1N4O8 Compound mass: 707.6295999999982 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 |
| 76R | 5T2K |
| MNH | 2AYL 4IT2 5ZIS 4U9J 6DS8 4U9K 5ZLH 2O5Q 2O5B |
| MNR | 2FEU 2O58 2O5O 2O5M 2FE6 3QUH 2O5L 2FER |
| MMP | 4G0F 1N7M 1NGW 3FCT 1C1H 4FXM |
| HNN | 3WI8 5YL3 |
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.