(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MYN
File name: alatis_output_compound.sdf
|
Formula: C6H12N4O2 Compound mass: 172.18460000000007 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 |
| MYN | 5V93 3KNN 4V7M 3KNL |
| ARV | 1K2S |
| IOR | 2MOV |
| 2MR | 4A4E 4A4F 5FWE 3OMG 4B9W 2V88 5LUG 5VQH 5YGD 2V87 5M9N 1G42 6G2J 6AX3 1G5F 3OMC 3NTI 5M9O 3MEU 1G4H 6G72 3NTH 4A7J |
| 5OH | 4V9J 4KDA 4KD8 4V7L 3KNH 4KJ8 4KIY 4V9O 3SFS 4KBV 4V9K 4V85 3J5X 4KBT 4V7D 4V9P 4KJ0 4V9L 3KNJ 4V7C 4KJA 4KJ2 4KD0 4KJ4 4KJ6 4KCY 3J5T |
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.