(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T3
File name: alatis_output_compound.sdf
|
Formula: C15H12I3N1O4 Compound mass: 650.9730999999995 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 |
| T3 | 2PIW 1XZX 4ZO1 1SN5 4BVA 1BSX 2H79 2PIV 4LNX 3VKX 4LNW 3GWS 3UVV 2H77 |
| T44 | 1HK1 5MHE 1HK2 1HK3 3Q1E 2XN6 2RIW 2XN7 1ETB 2CEO 1HK5 1IE4 4X30 1ETA 1F86 3OZK 1SN0 1HK4 1ICT 2ROX 1Y0X 5CR1 4LNX |
| T33 | 1THA |
| T2B | 3WGW |
| TYI | 2D8W 2C3V 3GH8 6JQA 4PGC 2D8P 4TVC 5N1C 1L0S 4IKM 4TVD 4TTU 2NOO 2VLW 2AXE 2D98 2D97 1CTP 2D8O |
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.