(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NK
File name: alatis_output_compound.sdf
|
Formula: C7H6O2 Compound mass: 122.12110000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| NK | 4JZ6 2PIR |
| 7WO | 5U16 |
| 23A | 2DVX |
| HBA | 5E4M 3ATZ 1EB9 5K1K 5V4P 4JIP 1Z42 2VQ5 3ZOE 1K03 3HGJ 5DY3 1OYB 4RNV 2GQ9 4TMC 3ZOC 4JQN |
| SAL | 4EQ4 3DEU 3UNI 5U6M 2Y7W 2E1Q 5F1A 4L39 5YJS 3TWP 1PTH 1Y7I 3KP6 5SWR 3B9M 3NVC 3RET 2Y7P 5HSN 5M78 3HGX 5U6N 4EM2 4EM0 3AX9 4Y03 1FO4 5X80 1FIQ 4EQL 4HVR 2Y7K 2I30 3ZMD 3NJZ 5OF1 3GF2 3N8Y 3UNA 3W1W 5WM2 1M6E 3UNC 1WYG 5EVY 3BPX 6L4M 2I2Z 2FN1 3AX7 1JGS 3REM 6EMM |
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.