(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DDG
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O6P1 Compound mass: 331.22130000000004 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 |
| DDG | 2HVH 2AU0 4ELU 3AUO 5WMB 3RR8 6AMO 3RB0 6ASW 2ASJ 2HVI 6OTZ 3RTV 2ATL 6P1X 6AN2 1QSS 3TI0 3SZ2 3RB4 6ANQ 4F4K 6OUN 3KHL 4F8R 6AN8 3GIM 3KHR 5WM1 3RH5 2ASD 1TK0 3RH4 6AVM 3JSM 4DFM 6AVT 3HP6 6P1I 1T05 5OXJ 3JYT 5L2X 1ZYQ 6OR7 6P2G 2HHW 4EZ6 3AU6 3RRG 2OZS 5WM8 1TK5 3RH6 5O7T 3LDS 2OZM |
| G31 | 1D26 |
| DCG | |
| DG | |
| DGP | 1RND 2LRR 2DWN 6FM1 1Q9X 2FC0 2JAO 2WWG 6FJR 2QCA 1DEL 1TLC 1DEK 3SLM 6FKO 1Z4P |
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.