(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZRC
File name: alatis_output_compound.sdf
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Formula: O17P1Zr3 Compound mass: 576.6356 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 |
| ZRC | 1XC1 |
| FPO | 2SKC |
| KFG | 6N8E |
| TZZ | 2D2H |
| PPV | 4KLM 5MAQ 5FO1 4UZF 5ULJ 5FNZ 3KRF 4JG4 5TYV 3UQ2 4RQ8 3AQ0 2X0K 5FM0 1XSP 6ISH 3PIH 3EPH 5TWQ 6FD5 6FD6 6IKZ 4KLG 5FB3 2BCQ 2PMD 5VN4 6GGI 5V1I 4KLL 5VS0 4M0A 3JYY 5TXZ 4RL4 3NPK 2E9T 4RQ0 5FLL 4RQ5 4UAY 3Q9M 5V1O 2E90 4KLT 3KRP 5VS4 4UB3 5TYU 5VRY 4KLF 4RQ6 6FCD 4WPA 3H2B 2O5W 2BCS 5FO0 2O1C 5TBA 6OH6 4KLQ 2E9Z 4RQ4 5VS3 3KRO 4KLH 4RQ2 5U9H 4RPY 5TYW 3OAB 3ATR 2EC0 6IPF 5A0I 3EPK 5TYE 5V1R 2BCU 5VRZ 4UAZ 5XEX 5TYX 4OKM 5TYY 4UZE 5TYD 6P1O 6KD7 5TBB 6P1U 4UBB 3MDA 5A0J 4KLO 5TYC 6ISI 2PFQ 6ISG 5TYB 6G9V 4KLI 2BCR 4RPZ 4KLE 4KLJ 6MJK 6P1Q 4KLS 4YD2 |
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.