(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P6P
File name: alatis_output_compound.sdf
|
Formula: C6H13O9P1 Compound mass: 260.1353000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.75
List of identified carbohydrate fragments:
-
C6H11O6
Fragment probability: 1.00
Fragment mass: 162.14020000000002
Fragment main chain atoms: [15, 6, 5, 4, 3]
Fragment all atoms: [15, 6, 2, 19, 20, 7, 24, 10, 27, 5, 23, 9, 26, 4, 22, 8, 25, 3, 21, 1, 17, 18, 14]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| BFP | |
| TA6 | 2JG1 3JUL 2CIS |
| P6P | 3IFC |
| AFP | 1FBH 1LLC |
| F6P | 3O8O 1RDY 4GX3 1NV4 4R74 6HVJ 1LEV 6ETJ 1KZ8 5AJX 1Q9D 2CXT 3UQD 4KXP 2AXN 5HR5 5L3K 2I1V 1MTO 1NV3 2F3H 1FJ9 1TIP 4GBV 5AJZ 1EYJ 1NV0 1EYK 5FBP 1RDX 6IBY 1YZ0 1YXI 2CXS 4D4J 1NV2 6IC0 6IBZ 1NUX 1EYI 3IV8 2R66 4GX6 1NV5 1FBP 6AYU 4GX4 6AYV 2OWZ 1NUZ 4MA4 2DWP 1NV1 1FSA 1CNQ 3PR3 3N1C 5OFU 2F3B 5K55 1LBY 4GWX 5AK0 4D4K 6HVI 5AJW 5HTK 1NV6 3PT1 4GWY 4GWS 3BXH 1NV7 4D4M 3M5P 1FJ6 4XZ2 1NUY 4PFK 5XZ7 1HOX 4H45 5XZ8 5ET8 4GWW 6IBX 3QPV 1YYZ 2BIF 4GWZ 1NUW 4H46 4GBW 6HVH 5AJY 1RDZ 2OX3 2DWO 1UXR 4D4L 4HE1 4LC9 1T10 2F3D 3H1Y |
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.