(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F2N
File name: alatis_output_compound.sdf
|
Formula: C36H43N9O16P2 Compound mass: 919.7231999999982 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.35
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [29, 30, 35, 60, 24]
Fragment all atoms: [29, 93, 50, 103, 30, 94, 51, 104, 35, 95, 44, 60, 24, 91, 14, 85, 86, 59]
-
C6H12O6
Fragment probability: 1.00
Fragment mass: 306.1006
Fragment main chain atoms: [14, 59, 63, 61, 62, 58, 13, 23, 28]
Fragment all atoms: [14, 85, 86, 59, 63, 61, 62, 58, 13, 83, 84, 23, 90, 47, 101, 28, 92, 22, 89, 12, 81, 82, 46, 100, 49, 102]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| F2N | 2Z3Y 2EJR |
| FNK | 3SM8 |
| FDA | 4U8M 4XGK 3EPT 3UTG 4OPD 4U2S 4MOG 4OPU 3ATQ 4OPI 4DSH 4CY8 4XVX 4X28 4MIF 3UKF 4U8N 4MOS 4U8K 5G3U 4OPG 5G3S 4MOJ 3R7K 4U8L 3UTF 1TVC 5G3T 4KAT 4U8P 3PFD 3INT 3UKK 3TSH 4TM4 4WX1 4TLX 4YNT 3ATR 3HDY 3UKH 3SF6 5VW2 3SWO 4MIG 4GDE 4OPL 4U8I 4OPC 4MOP 4U8J 3OIB 6BSN 4M6Z 4TM1 4JNQ 4MOI 6D9C 4U8O 4IV6 3RHA 3LJP 4MOR 5VW7 4MO2 4NMD 6D2G 4MOF 3UTH 4MOM 4MOO 4MOQ 4N5F 2ARD 3V76 4MOH 4MOE 5HHF 4H6R 3ITG 4M9A 6D9A 4OPT 6D9E 3TSJ 2UXN 1FNC |
| 6YU | 5LGB |
| KWM | 6NQU |
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.