(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZEM
File name: alatis_output_compound.sdf
|
Formula: C34H32N4O5Zn1 Compound mass: 642.0303999999982 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.09
List of identified carbohydrate fragments:
-
C2H3
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [1, 7]
Fragment all atoms: [1, 44, 45, 7, 60]
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C2H3
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [2, 8]
Fragment all atoms: [2, 46, 47, 8, 61]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ZEM | 1ML2 |
| ZND | 4TWV 4TWU |
| ZNH | 2B11 1I55 2K78 4MEC 1U75 4MXK 2B10 2BCN 3ASE 1I54 1YGD 2B0Z 1U74 2B12 4MXL |
| 2GO | 4N7L 4N7K |
| PP9 | 2HRE 2QD1 5DUO 6G71 5E9Z 4KLA 2QD5 1Z53 1HRS 4UC1 2Y4E |
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
Disclaimer:
- 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.