(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GGZ
File name: alatis_output_compound.sdf
|
Formula: C10H13N5O12P2S1 Compound mass: 489.2485999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.33
List of identified carbohydrate fragments:
-
C5H6N1O4
Fragment probability: 1.00
Fragment mass: 144.10520000000002
Fragment main chain atoms: [24, 10, 7, 6, 4]
Fragment all atoms: [24, 10, 38, 15, 7, 37, 26, 6, 36, 25, 4, 35, 1, 31, 32, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GGZ | 2PEZ |
| PPS | 4IFB 1BUX 2ZYT 3CR7 1M8P 1HY3 2OFX 2ZYV 2ZYU 3F3M |
| ADX | 1JEE 1I2D 4BZQ 4MAF 2GOY 2OFW 2FJA 1M7G 4FXP 5CB6 5CB8 1M7H 1G8G 1G8H 1XNJ 2QJF 4BZX 2PEY 1V47 3UIE |
| LQJ | 6O6Z 6O6Y 6O70 |
| A23 | 4ATO 3B4A 2HO6 2XDB 4PLX 2XD0 3IIN 3BO3 4RMO 2H0S 1M5V 3HHN 4P5J 2HO7 6OV0 4NYD 4NYB 2HOJ 4NYC 1U6B 1D4R 2GCV 3BO2 3R1H 2GJW 3R1L 4NYG 2H0W 1JID 2XDD 2GCS 3T4B 6UFH 2H0X 1JBR 3BO4 1ZZN |
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.