(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IUG
File name: alatis_output_compound.sdf
|
Formula: C22H30N3O19P2 Compound mass: 702.4286999999983 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:
-
C6H10O6
Fragment probability: 1.00
Fragment mass: 178.13960000000006
Fragment main chain atoms: [15, 17, 19, 21, 42, 12, 61, 27, 69, 29, 63, 71, 31, 65, 73]
Fragment all atoms: [15, 17, 19, 21, 67, 43, 42, 12, 59, 8, 55, 56, 39, 61, 27, 69, 29, 63, 71, 31, 65, 73]
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.12100000000004
Fragment main chain atoms: [41, 20, 18, 16, 13]
Fragment all atoms: [41, 20, 66, 24, 18, 64, 30, 72, 16, 62, 28, 70, 13, 60, 9, 57, 58, 40]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| IUG | 3ZGG 3ZGF |
| GUD | 1GUQ 1Z45 2PA4 3ENK 1O23 |
| UPG | 6C4J 5HUV 2VKH 4EDF 1SB9 2Q3E 1GUQ 1KVS 3T7O 4Y6N 3RMW 6D9C 2ICY 6FSN 3KHU 1UQU 1NZF 6D9B 2XA2 6C5A 1J39 2AM3 3JUK 2GN9 5TJH 3TDK 4ZRN 5I1F 4Y7F 1A9Y 3VTF 4E7E 1I2B 1EK6 1O23 1MP5 5GL5 1MP4 2PA4 4Y6U 1IIN 5C8R 2XA9 3OH4 5NZI 4E7B 3ENK 1I2C 1KVQ 1I3K 1A9Z 5HUT 3GF4 2VKD 1Z45 5H18 4HO8 6C5Z 4HO6 4LIS 3GUE 3SRZ 1KVT 2ACW 4Y9X 1LRL 3JSZ 5C4B 1NZD 1I24 5NZJ 1KVU 4XSR 6KVC 5LOR 5JSX 5C4F 1LL2 1G93 2WZG 3V91 4WMA 1Y6F 5C4D 2OEG 5C4C 4Y7G 1ZDF 5NZG 4R7P 1QRR 6K0I 2P72 3CKQ 1ZDG 4M2B 1XEL 4M2A |
| GDU | 3INT 1YRO 2GNA 3UKF 6D2E 3UKP 4RPH 6GX0 3HDY 4LW3 5NRD 4RPG 3AW9 1GUP 5UW1 6D2G 4HO9 5M7D 3UKH 2FYC 3OH2 1I3L 1TVY 3HDQ 1FR8 5NRB 3UKQ 3INR 2RJ7 5C1L 1O0R 3UTH 4M4K 2VS5 1R82 1TW1 5C1H 5C1G |
| AWU | 6IJA |
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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