(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PRP
File name: alatis_output_compound.sdf
|
Formula: C5H13O14P3 Compound mass: 390.0692 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.45
List of identified carbohydrate fragments:
-
C5H8O5
Fragment probability: 1.00
Fragment mass: 148.11370000000002
Fragment main chain atoms: [17, 5, 4, 3, 2]
Fragment all atoms: [17, 5, 28, 18, 4, 27, 7, 30, 3, 26, 6, 29, 2, 25, 1, 23, 24, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PRP | 4OWQ 6FUA 3QS8 5UBI 1KGZ 4ZOK 2PS1 1TC2 1OPR 1ZYK 6FCI 4OWU 5HKF 3C2F 1FSG 4Z1O 4X58 1ZN7 3G6W 4X59 6FCT 1I14 1D6N 1JLS 4X5B 5Y07 6FTT 6DLQ 5BYT 3R6C 1Z7N 4OWO 3DKL 6FCH 3TWP 4GKM 4N93 4RV4 3DKJ 3GBR 3QQS 6HGQ 4ZOJ 4N5V 6R02 1I0I 1I13 1I0L 4ZOF 1ZXY 1VST 4GIU 3QSA 3UU1 2E5C 6FU2 3C2V 3OSC 3R88 4X5C 6FD5 6FCA 5C7S 6D9R 1P18 6CK5 1ZVW 4OWM 6FCY 1LH0 4OWN 6DLT 6DLS 6FD4 6DLR 1L1R |
| 51N | 5C1R |
| RI2 | 5YFW 5YG6 5YFV 3Q88 5YG9 5YFS 5YFT 5YGA 3VM6 5YG7 5YFX |
| FDP | 3FBP 3HQQ 3O8O 3HQP 1FPB 4KCW 4KCT 5Q0C 2QVU 4HYV 4HYW 1FRP 4KCV 4KCU 2QVR 2QVV 2I1V 5AJV 4KS0 4GWU 3QPV |
| R1P | 2H4L 6K5H 1A9T 3QPB 1RXC 3BJE 3FB1 6K8P 1TGY 5KO6 |
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.