(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5FU
File name: alatis_output_compound.sdf
|
Formula: C9F1H12N2O9P1 Compound mass: 342.1713000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.45
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 5, 4, 21, 8]
Fragment all atoms: [6, 28, 14, 32, 5, 27, 13, 31, 4, 26, 2, 24, 25, 20, 21, 8, 29, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 5FU | 2VP6 2E9T 3G3D 3SW6 2QCF 3SGU 3G3M 3MW7 3G1V |
| UD5 | 1ZL3 |
| UFP | 6QXG 4Q0E 4GSI 6PF9 6PFA 4KY8 4FOA 6PFE 6PFH 3GWC 6PF7 1O28 6OJS 1O29 6PFB 6PF8 5FCT 6PFG 6PFC 1TLS 6PFI 4FOG 6PFF 4Q0D 1ICG 6PFD 1DNF 1TSN 1ID9 3H9K 6QXS 2TDD 1VZC 1TDB 3EJL 1B02 1VZD 1BJG |
| FNU | 3N34 3S9Y 3N2M 3SSJ |
| 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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