(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OS4
File name: alatis_output_compound.sdf
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Formula: Os1 Compound mass: 190.23 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 |
| OS | 5WSF 3DHS 2CKY 3N44 2A2E 1RMQ 4UIE 5HB4 2XRO 5KTE 3NYJ 6D9W 1HC8 5CWS 6HZL 5WSE 1QA6 1SZ0 |
| OS4 | 1Z2M |
| OHX | 3UZM 4UL5 4UK4 4UJL 5ON6 4ULE 5TGA 3U5D 4U4R 5FCI 3UZL 4ULS 4UKC 4UL0 4UJN 4UJX 4UK1 5TBW 4UKR 4U55 5DGE 4UJV 4UJQ 4UKG 4UJR 4ULM 4UL2 4UKA 4U50 5TGM 4UJP 4UJH 4ULA 4V88 4UL1 4UKW 3UZG 5MEI 4V8Z 4UKU 4U4Z 4UK0 4UKB 4UL9 4ULK 4U3U 3UZI 4UJK 4U4O 4UKP 4UJG 4UKQ 4U51 3U5H 4U4Q 4U53 4U3N 4UL8 4UJF 4ULD 4UL7 5I4L 4UKV 4U4N 4UL3 4UKL 5FCJ 3U5B 4U6F 4U3M 4UJI 4UJZ 4UKM 6HHQ 4ULC 3O30 4UKX 4ULF 4BYO 4V7R 4U52 4ULQ 3O2Z 4U4Y 4V8E 4UJJ 4UK5 4UJM 4UK7 4UKH 4UKS 4UK6 4ULG 4UJS 4UKK 4UKF 4UK2 4U4U 4UK9 4UL4 4UJW 5DAT 4UJT 4V8F 4U56 4UKZ 4ULH 4UKI 4V8Y 4ULP 4ULJ 4ULB 4UKT 4UJU 4UL6 5LYB 4UKN 5DGF 4ULR 4ULI 4ULN 4BYV 3U5F 4UJY 4UKE 4UK8 4UJO 4ULT 4BYW 4ULO 4UKO 4UKJ 4UK3 4UKY 5LYV |
| 2AI | 3MJL 6Q7K |
| CFN | 1M1N 3K1A 2AFK 2AFI 2AFH |
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.