(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: M43
File name: alatis_output_compound.sdf
|
Formula: C43H53N6Ni1O13S1 Compound mass: 952.6695999999974 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 |
| M43 | 3SQG |
| F43 | 1HBU 5A8W 1HBM 5A8R 5A8K 3M32 5N1Q 5N2A 3M2V 5G0R 3M1V 1HBO 1E6V 5A0Y 5N28 1HBN 3M2R 1MRO 3M30 1E6Y 3POT 3M2U |
| SH0 | 2V4J |
| 8F5 | 5N0G |
| P8X | 4AU1 |
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.