(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 4NS
File name: alatis_output_compound.sdf
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Formula: C6H5N1O6S1 Compound mass: 219.17180000000005 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 |
| 4NS | 2ZYU 4P05 |
| CSN | 3U96 1PA9 1E2S 3S3K |
| NPO | 5CHQ 6FJG 3MK1 5K4K 5BXJ 3ETT 3U3R 3AYD 43CA 5T0A 3M3E 4NDZ 2ZYW 5T05 3ASS 3QVU 3Q3N 3M3C 3ASQ 4UWT 5M4O 2I10 5HC2 3A70 2D20 5FRX 5T03 1Z44 3MK0 5HC0 4XPS 1LS6 3AST 5XH2 4EKQ 1VAH 5E97 5J50 3M3O 3ASR 2ZYV 5E98 2ZVP 2WGZ 1YEK 5K4M 4BN8 |
| 4NC | 5PHD 2BUZ 3LXV 3OJK 4GHH 4GHF 4Z6W 5CHR 4Z6V 4Z6U 2BUU 3VSI 4GHE 1EOC 1NO3 |
| OPO | 4V0Z |
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 Open Babel software package is used in the CTPIC source codes.