(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SEK
File name: alatis_output_compound.sdf
|
Formula: C1N1Se1 Compound mass: 104.97739999999999 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 |
| SEK | 2H2P 2H2S |
| SE | 3RJ1 2GJ8 6OP3 5FF4 6OP2 3UHJ 1PAE 5BVG 3HRD 3SZ0 2ARH 4CJ9 3USP |
| CYN | 3PCL 1RTE 4U8U 1SHR 1FHB 5WK9 1EMY 3NN2 1GJQ 6NBL 3AYY 1NQP 5WMX 2EFB 1JL7 3PCM 5WP2 3ZJH 2GL3 3I04 1S56 3BJP 2GLN 3ZOL 2QRW 4ODC 3MM6 4C9L 4FNI 6COI 3ZJL 5M29 1NGK 5OHE 5V3V 3NP1 1GX7 2OIF 1ITH 1S69 2X68 3ZJI 4M06 5OHF 3MYN 1DLY 1O1I 1ARW 2HYS 4C9O 3KUN 1IOP 1HFE 2QBM 3MN0 1B0B 2GKM 5V3T 1H9Y 1SI4 2V3N 3MMO 3X2Q 5V3U 5C6E 1EOA 2GKN 1DNW 2D0U 2IG3 3ZJM 3VLI 3AYZ 3WFE 6E35 3I39 4L4F 7ATJ 1D5L 3FAQ 3PT8 1DW1 1MD2 1ABY 1TH3 2E7E 2GHD 5AZQ 1DGG 4L4E 3AYX 3QGP 1HLM 4L4D 5SYL 4QZJ 3VLJ 4L2M 3ZJJ 4B3W 3FYI 2E39 2OJV 1JL6 1O76 5M34 3KUO 1LHT 2E9E 1I5T 2W3H 2CMM 6CXV 1D7W 5WMV 5M2Q 1ARV 3ZJR 3VOL 5M3B 5WMW 6CXU 4NL5 1EBC 2CIY 2G3H 3AG4 1S61 2GHK 1N2N 3ZJN 1E08 2X66 1LH3 1H1X 2LH3 3MM3 1OR4 2FAL 1EBT 4KKJ 1ECN 1E2R 2X67 4GEP 5WMU 3QM8 6CII 3DAF 1IX3 3MYM 3BA2 3MM2 1YMC 4L4G 1EQD 2JIR 2LHB 4QUR 1UVX 2WY4 2QBO 1LT0 5NRP 1ARU 1UX8 2JHO |
| CN | |
| 6SE | 3SZ0 |
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.