(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MOM
File name: alatis_output_compound.sdf
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Formula: H2O3 Compound mass: 50.014 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 |
| MOM | 2W3S 2E1Q 2W3R 3EUB 3HBG 3HBQ 3HBP |
| MOO | 2H5Y 6ETF 1GUO 5ERU 6FW2 1GUN 3GZG 1H9M 6H8H 1EOI 4HI1 3RVR 1Z13 3K6W 1O7L 2R8U 4BVP 6GX4 3K6X 1H9S 4BRF 6H6W 1AMF 6GAX 6GB4 6GUJ 3PSH 6H8B 2ONR 1H9J 6H73 6GU5 2A3P 6H74 2INN 5G2S 6GBC |
| EFK | 6FW2 |
| OMO | 1P0Z 1N60 |
| MOS | 3ZYV 1VDV 1FO4 2W54 3AM9 3ETR 3O5A 1FIQ 3UNA 5G5G 3AMZ 1JRO 3UNI 3NVW 5Y6Q 3NVV 3B9J 3ML1 1JRP 3NRZ 1N5X 3NS1 3NVZ 4UHW 2W55 3NVY 5G5H 1V97 3HRD 3UNC 4UHX 5EPG |
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.