(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 4NI
File name: alatis_output_compound.sdf
|
Formula: C4H7N1O4 Compound mass: 133.10240000000002 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 |
| 4NI | 2R0M |
| ABU | 4ATQ 5ODM 1QUR 4M3C 3USU 2YOE 5OE1 6HUP 6DW1 5LTV 6HUJ 4A96 2JT9 6JDW 4I30 1M18 6D6U 1M19 6EB3 6HUO 2OKJ 4K17 4PCR 6A96 1M1A 3IP9 6DW0 3S0S 5T4J 5X03 6D6T 1S32 4RLG 4MS3 3V5A 2OKK 4EUO 5LRV 6DN6 |
| NTC | 1NIS |
| DLT | 4BGM |
| DAB | 3FQ9 2N5W 1JDK 2M7I 5YU4 6D2U 1JAR 6CIV 1J9V 4ZJX 2N5Y 5L3G 3U51 5L3F 6CBI 1B4H 2PM1 3D3S 6GXC 3DS9 3U4W 6Q5M 3KED 1J73 5LRV 4XMZ 2W76 |
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.