(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FA2
File name: alatis_output_compound.sdf
|
Formula: C9H12N5O6P1 Compound mass: 317.19480000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C4H6N1O3
Fragment probability: 1.00
Fragment mass: 116.09509999999999
Fragment main chain atoms: [4, 6, 9, 19, 1]
Fragment all atoms: [4, 26, 20, 6, 27, 15, 31, 9, 28, 14, 19, 1, 22, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FA2 | 1PWF 5VU9 6MU5 5VU6 5VU7 |
| 3AM | 3W2V 3IT3 3AGO 3OCW 3C0G 5LDO 3C0I 3AGN |
| 9O4 | 5VU8 5VU7 |
| A3P | 1OUQ 4NDZ 5WRI 3HYK 3U3K 4EEC 5X2B 1FMJ 2H8K 6MFE 3BFX 1Q20 1G3M 3AP3 1T8T 3F3Y 1X8K 1Z28 6B52 4JVM 3QVU 1Q22 5BYJ 4JVL 2ZVQ 2OQ2 5TIX 6B50 1FTH 2GWH 6BDR 6OTR 5IUF 2D06 3AP1 5WRJ 1AQU 3UAN 1O0F 1HI4 1X8L 1T8U 2ZYW 1VKJ 1EFH 1BO6 5T03 2A3R 3QVV 1Q1Q 4JVN 1X8J 6BDP 1Q1Z 3U3R 6B4X 2OVF 5TIZ 5BYK 5T0A 3U3M 4GBM 6OXI 5TIV 4W4G 5T05 1ZRH 1FML 3QMN 3AP2 2XG1 6B53 5TIW 3U3J 4MUB 6B4Y 2ZPT 6BDQ 1Q3V 1AQY 1NST 5MEK 3F5F 6B4Z 3RTB 2Z5F 6BDS 6B51 4V5K 3CKL 3U3O 6B54 4GRA 1Z29 4MUA 3BD9 2REO 2QG8 4GOX 6AIX 2ZVP 5TIY 6AIY 5DJG 1LS6 1CY0 1KA1 2XFZ |
| 103 | 1CUL |
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.