(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 118
File name: alatis_output_compound.sdf
|
Formula: C24H20Sb1 Compound mass: 430.17479999999995 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 |
| 118 | 1EXI |
| BNZ | 227L 2YKY 1CP4 1A7Z 1XXJ 4I7J 3GUJ 223L 220L 3HH4 1SWI 4W52 3DMX 181L 1L83 2Z9G 5JWT 1L84 |
| NPY | 1O7G 6EKW 5VKF |
| AN3 | 2HMM 2HMN |
| PEY | 2HML 2HMK |
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.