(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5HY
File name: alatis_output_compound.sdf
|
Formula: C5H6N2O4 Compound mass: 158.11190000000002 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 |
| 5HY | 3QVL |
| BUI | 2FW3 |
| DI6 | 2Q09 |
| DOR | 6GK0 2Z26 4C6F 3MJM 6HFP 3KVL 2Z25 2Z28 4C6J 2Z2A 4BJH 6HFJ 4C6K 2Z29 2Z24 2E68 3KVM 6ET4 6HFL 6HFN 4C6I 3KVK 2Z27 6HFQ 3KVJ 1XGE 6HFH 6HFK 4C6E 4C6D 6HG3 |
| NCD | 1R0C 2Z26 2Z28 2Z2A 2Z29 6HFR 4C6D 6HFS 2Z24 4C6K 3MJM 2Z25 4C6J 4C6F 4YIW 4C6I 1J79 6HFU 1XGE 4C6N 2Z27 4C6E 4C6Q |
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.