(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RUR
File name: alatis_output_compound.sdf
|
Formula: C34H36N4O4Ru1 Compound mass: 665.742599999998 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 |
| RUR | 3M0B |
| MMP | 4G0F 1N7M 1NGW 3FCT 1C1H 4FXM |
| UP3 | 3D8N |
| DE9 | 4XKB |
| PP9 | 2HRE 2QD1 5DUO 6G71 5E9Z 4KLA 2QD5 1Z53 1HRS 4UC1 2Y4E |
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.