(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T64
File name: alatis_output_compound.sdf
|
Formula: C20H28N4O15P2 Compound mass: 626.4005999999982 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.22
List of identified carbohydrate fragments:
-
C5H7N1O3
Fragment probability: 1.00
Fragment mass: 129.11370000000002
Fragment main chain atoms: [4, 14, 38, 12, 10]
Fragment all atoms: [4, 50, 51, 14, 62, 24, 38, 12, 60, 7, 55, 56, 35, 10, 58, 39]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| T64 | 6R93 4YM6 4YM5 6R8Y 6CFI |
| YG | 1JGO 4TRA 4V42 3FIC 1FCW 4V5G 3DEG 1TN2 1OB5 1TN1 1SZ1 1MJ1 4TNA 1JGP 1JGQ 6TNA 1TRA 2WRQ 4V68 1I9V 2WRN 1EVV 1GIX 1OB2 5L3P 1ML5 |
| YYG | 3JYV 486D 4V7H 2B9O 2Z9Q 1EHZ 1TTT 2B9M 4V4R 5M1J 4V4S 4V4T 2B64 |
| 0TT | 4FHD 4FHF 4RH1 |
| THX | 1AUL |
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.