(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: YB2
File name: alatis_output_compound.sdf
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Formula: Yb1 Compound mass: 173.04 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 |
| YB2 | 2O6N |
| YB | 4WB9 3FTY 3U9W 1PK0 4WP7 1YTT 4MS6 3FUK 1HS6 3FUJ 4X1D 4L2L 5AC2 5AEN 2K62 1NCH 3CHQ 5NPL 3FU3 1GGY 3CHP 1SK6 1K90 5FWQ 6ENB 4DPR 5L2O 3FUF 3CHR 1LVC 3FUN 2VJ8 4NGY 1Z1Y 5L2N 3FHE 5BPP 6ENC 3FUI 4NGZ 5FGR 2BOP 3FTS 3FU0 5NI6 3FUL 3FTX 5N3W 2R59 3FH8 4NGV 1GW6 3FUE 1H19 3CHS 5NI2 5L2M 3FUD 3B7U 1S26 4WJ9 4MKT 4R7L 3FUH 3FH7 3FH5 4WPN 2J6J 4RSY 6END 5I2S 3FUM 3B7S 3B7R 6DUM 4NGW 3FTW 3FU6 4X4L 3FTV 4RVB 3CHO 3FTU 5TEI 3B7T 4BS7 1C5K 3FU5 1NCG 1CNT 1SQM 3FTZ |
| OPS | 1VGN |
| 278 | 2RBV |
| NNJ |
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.