(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0RC
File name: alatis_output_compound.sdf
|
Formula: C11H20N4O10P2 Compound mass: 430.2441 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.37
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [9, 8, 6, 24, 10]
Fragment all atoms: [9, 38, 17, 45, 8, 37, 16, 44, 6, 36, 5, 34, 35, 23, 24, 10, 39, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0RC | 6PD2 |
| 7XL | 5X3D |
| CDP | 5CNS 1ORR 4O6N 4FKX 6SDK 1XJN 1FFU 2AZ3 6AUI 3ETM 2UZH 5ZRL 2CVU 2PO2 6IFD 3GPA 2VBU 3FC9 2V8P 5CX6 5BO6 3C3B 1U3L 3Q89 4C81 4WTK 1IV2 3EE3 6CVF 3S8C 1H7H 2VBT 3BOS 5JPT 4O86 5CST 4ZW4 1EYR 3IEW 1GX1 5ZDN 2VBV 2OYN 4K6P 5WCN 4J6W 2CMK 3S8B 3AKD 3TB9 2YK6 3C3C 4WTC 3AKC 4QGJ 1YQN 4TYY |
| CDF | 2VSI |
| C2G | 1N1D 4Q7C 3L7K 3L7L |
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.