(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 1N7
File name: alatis_output_compound.sdf
|
Formula: C32H59N2O8S1 Compound mass: 631.8820999999967 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.20
- Compound probability: 0.07
List of identified carbohydrate fragments:
-
C2H6N1
Fragment probability: 0.20
Fragment mass: 86.1352
Fragment main chain atoms: [4, 34, 5]
Fragment all atoms: [4, 53, 54, 55, 34, 5, 56, 57, 58]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 1N7 | 6C1M 4JY9 4JYD 4JYE 4JYF 5YUC 4JXC 6C1P 5YUB 5YUA 4QE3 |
| CPS | 3WO2 5FEP 6MWD 5FES 1F6A 1HV5 5FF2 4GRH 5FF4 4CZT 1IRJ 5VB2 4PLE 6DWN 5NFP 6C6R 2OLC 2Q3T 4UDD 3K9V 5FF0 5FEW 1XU7 4CZU 3CIW 3CIX 5DCJ 5FEZ 1PUC 5YIE 5YIB 6C6N 6C6P 3IIX 6CSD 5FEX 6HN6 5YIC 3IIZ 1XU9 1O91 1EX4 6P6X 5KLB 3CZR 4XCS 4X86 4JYD 5YID 4AFQ 4FNE 6MWB 5YIA 5FF3 1VK5 6DWM 6P6Y 3HAS 4PLD 1XJI 2PUN 5UC1 4FN9 3HAR 2PU8 6MWA 2PUL 3SLB 5G3J 5XGA 3HAQ 6MWG 3Q8D 2PUI 2OQO 3HAP 2PUP 4UDC 1GR3 |
| 3CX | 3Q75 3Q78 3Q7F 3Q79 5M82 3Q7A 5ILI 5M85 3OQJ 3Q73 4Z7X 5ILH |
| 3FX | 3SFY 3SFX 3Q7A 5ILI 5ILH |
| ZB6 | 4KZ6 |
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.