(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: D8Z
File name: alatis_output_compound.sdf
|
Formula: C16H26O5 Compound mass: 298.3736000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.71
List of identified carbohydrate fragments:
-
C11H15O4
Fragment probability: 1.00
Fragment mass: 154.1628
Fragment main chain atoms: [12, 10, 13, 18, 14, 16]
Fragment all atoms: [12, 45, 6, 36, 37, 5, 34, 35, 10, 43, 2, 25, 26, 27, 13, 46, 17, 18, 14, 47, 19, 16, 11, 44, 9, 7, 42, 38, 39, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| D8Z | 6FGD |
| D95 | 6FGC |
| SUM | 1IZ2 |
| TRE | 3T7D 3A9G 5DXI 2BHY 3FL1 6JAZ 4L2C 2EBF 5F47 1TEX 1NI6 3FL3 3LJ9 1J1M 5GTE 5GZH 4BZF 5OYJ 2EBH 4J4Q 3LIO 3A9H 4BZH 5WKT 4L2D 6UTO 2BY3 4KZV 2DXY 4PXF 3B08 2BXY 4F9F 6CZS 2BY1 6JB0 6UTN 3LJF 2BXZ 1V6A 2BY0 5KTH 2B1Q 2CY6 3OIH 2E50 3CXA 5MTH 1F0P 2FPD 2Z3G 2BY2 6JAM 4ZRW 6J9W 5MO3 5ZA0 4L2B 3PQR 5VF2 1EU8 5KTI 5K5C 5GTG 3V14 5M4A 2E4P |
| 3CK | 4QSD |
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.