(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T31
File name: alatis_output_compound.sdf
|
Formula: C9H13N2O8P1S1 Compound mass: 340.2464000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.48
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [7, 6, 4, 19, 8]
Fragment all atoms: [7, 28, 14, 32, 6, 27, 13, 31, 4, 26, 3, 24, 25, 18, 19, 8, 29, 11]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| U37 | 6EZ0 4J7M 5BTE |
| T31 | |
| U25 | |
| 0U | 2GQ6 2G32 4WB3 4R8I 4WB2 2GQ4 2GPM 2GQ5 2GQ7 1R3O |
| U5P | 1XTU 6DSS 4AWH 5MKN 1ME0 2J4K 2GUI 2IGB 1ME1 5KM3 2WYZ 3BK2 4DW4 4O7R 4KQ2 2BNE 4KQ1 6PGL 1DBT 2C37 4O7V 3EX3 2J4J 1G8O 2F8E 3BAR 4OKK 3MQG 1HXQ 1O5O 3IEL 1HXP 3EWY 3UWQ 5SUL 2B56 2ZA3 4X9D 3QRP 1XTT 3DXG 5CL0 5M79 1UPU 1XZ8 2V30 1I5E 2E6Y 6A4F 4NUW 2BMU 5D00 2XJE 4P83 1XTV 3LUJ 2QCD 5L4O 6DSR 2BLN 4FE3 2CZE 3QW4 1FGX 4LM7 1Z4M 2QCN 3HW3 2Q0F 1UCD 3EX1 2FFC 5V1M 3JW1 2QAF 1V9H 3BGJ 3OPX 5G52 5M7A 2ICY 5D4G 1WLJ 5MUP 4XWT 3PLR 4PNO 3EX6 3PLN 5DEB 3W07 4G0P 3GF4 |
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.