(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MBV
File name: alatis_output_compound.sdf
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Formula: C33H38N4O6 Compound mass: 586.6764999999979 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 |
| MBV | 1HE3 |
| M1V | 4LMS |
| CYC | 4H0M 2BV8 4PO5 4F0U 5Y6P 2LB9 6BHO 5MJQ 2UUN 6KGX 6JPR 2KOI 2K2N 5B13 1HA7 5TOU 5DFX 2VML 1GH0 2UUL 2LB5 5OOK 6BHN 4O4S 3L0F 1EYX 4L1E 6HRN 2VJR 4Q70 2KLI 1CPC 5MJM 4XXI 2UUM 4GXE 1LIA 1I7Y 3DBJ 3JBB 6OAQ 4LMS 4Z8K 2C7L 4YJJ 3W2Z 4RMP 1ON7 1B33 3O18 5TJF 1F99 4F0T 5O7M 1JBO 5MJP 4XXK 1PHN 2VEA 5UVK 3MWN 5DFY 6OAP 1KTP 4N6S 1ALL 3O2C 2V8A 4LM6 4BWI 2C7K 6OB8 2VJT 2C7J 4ZIZ 4GY3 1KN1 5M85 3ZQ5 5M82 |
| 18B | 3I8U |
| BL3 | 3AJH 3I94 |
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.