(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B7J
File name: alatis_output_compound.sdf
|
Formula: C10H16N3O14P3 Compound mass: 495.1664999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.30
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [6, 7, 25, 8, 1]
Fragment all atoms: [6, 37, 15, 42, 7, 38, 4, 35, 36, 24, 25, 8, 39, 13, 1, 31, 32]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| B7J | 5WNZ |
| 523 | 2OIG 5ZRO |
| 5FC | 4QKK 1VE8 5ZAS 4R2D 5MVU 6GCE 4R2Q 4QC7 5Z3N 5YTD 5D9Y 5KL4 |
| 1S0 | 4K4G 5U2R |
| DCP | 3SUQ 1LV5 9ICR 5WM8 4RPZ 4FJ8 5WMB 1XS4 4F4Y 4RXR 3IAY 4FYV 6IPM 4TQS 4NLG 4TO4 4QFY 4YR0 4TO5 5DDY 4EEY 4TNP 4DQI 3PW7 3V6H 4TO0 3OHA 3NDK 4FYX 4DTO 1H78 3BJY 4EYH 2ATL 3OLA 4KLD 4QCL 2R8J 3RH5 4M9L 4RQ0 4ZTZ 5KTQ 4TO3 6P1I 2HHU 3GQC 4DTS 3PX0 4TO1 5ZRK 3HT3 4E0D 4RZR 6P1H 3QEV 4FJM 3NE6 2PFQ 2VP4 2AQ4 1S10 5TFJ 6PH6 3EPG 2HVW 3RTV 4RPY 5WM1 4KLE 4DTM 9ICG 2XCP 2JAQ 5V1F 8ICS 6CTQ 1S0N 1NKE 2ALZ 4RPX 6IPI 3K59 3TAN 4YR3 3OSP 4IRK 1PEO 3SNN 5CR0 3V6J 4KLF 5DQI 4RNO 4QW8 4F4X 5V1N 3QEI 2DPI 3SUP 4FK0 5L1I 1Q9Y 5O7T 5CWR 2ASD 3QZ8 2PFP 4YP3 2C2E 4PTF 4FJI 1PKK 4F4W 5JUM 6AS7 3NCI 4I2J 3Q8P 8ICT 3NGD 5V1R 1MQ3 4FS2 3QZ7 3OHB 4YQW |
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.