(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IS3
File name: alatis_output_compound.sdf
|
Formula: C5H14O6P2S1 Compound mass: 264.1731000000001 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 |
| IS3 | 3K56 |
| IPR | 1YHM 1ZW5 4DWB 2FOR 4DXJ 2ZRW 3ICM 1RQJ 4H5E 1RQI 3IBA 3ICZ 6DBZ 3DYF 4DZW 5HXT 5HXP 4E1E 2ABB 3ICK 3ICN |
| 0CH | 3UV6 |
| EIP | 2G73 1OW2 1PPW 1NFZ 3KE8 2B2K |
| IPE | 1X08 3KRO 4LLS 4NG6 4LFE 2E8T 4JZX 2ZRW 4LFG 2UZH 3Q1O 3LL5 4E1E 1X09 3B05 2VG2 3WJO 3PDE 3KEM 3KRC 2E8W 3ICM 4NKE 3OAB 2ZRY 3EZ3 3K4Y 3LDW 3QQV 4OGU 1X07 4DXJ 6B06 4KQS 4LLT 4KQU 1YHM 4JKW 1RQJ 4JZB 5CG6 3ICN 3KE9 2ZEV 1ZW5 3OYR 4DWB 3ICK 3IBA 2E8U 3ICZ 3P41 4DZW 3KRF 2F8Z 3Q2Q 3OAC 4KPD |
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
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- 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.