(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ETA
File name: alatis_output_compound.sdf
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Formula: C2H7N1O1 Compound mass: 61.0828 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 |
| ETA | 3L8L 2Y6N 1NG8 2Y5M 1BDW 1ALZ 1MIC 2LCN 1BYZ 1KQE 3ZQ8 2XDC 1GRM 1AV2 1NRM 1AL4 5MUG 4UAB 1NRU 4TME 1GMK 3ABS 6DDE 1C4D 1NT5 2LCO 1W5U 6JPA 3ABO 6JP5 2IZQ 6DDF 5MUE 1JO3 1MAG 5GJV 1JO4 3AL1 6JPB 2XR5 1ALX 1NT6 5GJW 5YLE 6JP8 5KHY 1P4T 1JNO 1AII |
| FOP | 1ID8 |
| 2A3 | 3ANY |
| 2A1 | 3QGJ 3AO0 4XF5 3ABQ 4Y7Y 4QBY 4Y7X |
| CHT | 2X8M 1GVM 5A2D 2VYU 5NVO 5FAU 6G60 4KWA 3C5I 3R6U 1HCX 4V3F 2WWC 4IWT 6JYX 4CNL 4X36 1H8G 6EYQ 2X8O 5A0U 2WW5 2X8P 5FAY 2V04 1OBA 4I90 4DOJ 2WWD 5FAW 2REG 4R7B 2HA3 6DCH 5LN4 2V05 2FY3 3P03 1P0M 4ZCQ 3PPQ 4AGA |
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 custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.