(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GTO
File name: alatis_output_compound.sdf
|
Formula: C11H18N5O13P3 Compound mass: 521.2069999999993 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.31
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 7, 10, 28, 4]
Fragment all atoms: [6, 39, 17, 45, 7, 40, 18, 46, 10, 41, 16, 28, 4, 38, 1, 33, 34, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GCP | 4KJC 1CEE 4RJL 6H6K 2C04 4KIY 2RMK 4NBS 2OV2 6GSN 5UYL 4JZV 4KJA 2XXA 121P 6QUV 6QUW 5BYL 4KJ2 4V9O 5LZX 5WP9 2XQD 4QHY 6GSM 5UYQ 5IZL 4BTC 6Q21 4BYX 2ODB 5L3R 6QUU 1RJ9 4QFM 5LZW 6GJ6 6GWT 6GQ1 3JAP 4KJ4 1HOP 5UYM 6GJ8 5UYN 3JAQ 3AF4 5A9Z 4P4S 2QME 6GXP 4KJ6 6DLU 4CZ2 1JAI 4CR1 5H7L 6FYX 5A9W 6GJ7 3I92 5LZY 5H7J 6GXM 6N6N 6DEF 4V9P 6BP1 4KJ0 5UYK 4M53 4V8Z 6GJ5 1OKK 5LZT 4CYM 4DST 3J25 4V90 3W6O 4BYR 1JAH 5J8B 6F7U 4V9H 3ZYC 4V8Y 3SJY 5UK9 3I1F 3AF3 5AA0 6FYY 2QRZ 4JZU 4JUW 3GEI 5IT7 4KJ8 5UYP 4DCV 3ZVO 6NZ5 4V8O 5IMR 6QUX 5IMQ 2J7K 6GXN 1KHB 5KSZ 4V5L 6GQV 5HCN 4DSN 5LZZ 6GXO 1KHE |
| GTO | |
| GGH | 2ISP |
| G1M | 3JPP |
| G2M | 3JPR |
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.