(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CSS
File name: alatis_output_compound.sdf
|
Formula: C3H7N1O2S2 Compound mass: 153.22290000000004 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 |
| CSS | 4WH0 5HBP 4UQL 2YAW 5I0U 5FT8 1W9M 2YAX 1BI1 2V2K 6A6G 2XTZ 2WSL 2CB2 3HYW 4CS6 3HYV 4JGT 1KMJ 1XLV 4AA5 1GMX 6K6R 4WQA 5ZST 6MO6 2YDJ 3HYX 6MR6 1H31 4B17 4B1J 5OJY 6A6E 4AUK 5B7U 2OZ1 3IPO 5B87 1FWZ 4WQE 3WCP 3I8V 4UEQ 4Q75 5G3S 5LUH 1E2U 1BI3 6MP5 5VE3 5ZSO 5G4A 1E0C 5HBO 6H99 6MRE 6MRH 5DB5 1EUD 4KWK 5I0S 5FT5 4A07 1RHD 3OA8 1GN9 4UQP 4WQ8 1RHS 5WQK 2YAV 1URH 5G3U 1OKG 5WT6 6MR2 5I0T 2BAL 5WQJ 5ZSK 5OW1 2QCE 5B89 4ATN 1ELU 1BI0 2J4C 4RNA 2C1D 5HPA 3VRD 1H32 1MD2 4WQD 3NA5 6FCF 5N1T 2QCD 2VS1 1BOH 4UPV 1FTC 1BOI 2QCF 1UAR 1H33 1XLU 3ZE9 4WQB 2BAQ 3GZD 6KFZ 1XLW 1DP2 4V2K 1E9V 5J8Q 3ZE6 5XT6 6MRI 5CAE 2QCM |
| SCH | 4YYR 5DXE 1YAL 6QXH 4O1U 3KFQ 6HYR 5DXG 4O1X 1YPV 3KSE 5EH4 3N5E 3N5G 4YYU 6QYQ 3PF3 5MBM 5NIJ 4YYV 2XZ5 1S01 4LRR 6CBZ 4OU0 4N6N 6O2X 6R2E 4YYS 5MBL 4KPW 4YYQ 5DXB 6PIT 4YYW 4IF7 1FXD 1K72 1AEX |
| SCS | 5K30 2CMW 2NUC 4IKB 1PSI |
| TSY | 4BKC |
| 0QL | 4KUF 4ELC |
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.