(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 31Q
File name: alatis_output_compound.sdf
|
Formula: C10H11Hg1N1O4S1 Compound mass: 441.8532000000001 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 |
| 31Q | 4QDO |
| CMH | 1WB2 4ACA 1WB1 2NNO 3WEE 4AC9 1WB3 4ACB 2NNS 2FOU 2FOV 4CT3 2FOQ 2NNV 2FOS 2NNG |
| MBO | 1NAQ 4MLX 3VBD 4YXU 5W3B 4E3H 5EC5 4YXI 4JS6 6GBR 2JHN 4Q8Y 3C7P 4MDL 4FL7 3ZP9 6HXD 5THI 4E49 4YX4 4Q7W 3V7X 3RJ7 4FVN 4FRC 2HNC 1LUG 4JSS 3T5Z 3MNU 4E3F 4JSA 3EFI 3BL0 5M78 4Q8Z 4Q90 6I0W 1DR7 4Q81 3CAJ 2GD8 6I3E 2QP6 5THN 6GM9 5W31 6GDC 4Q99 4Q87 2QOA 1DR6 4E3G 6HR3 4E4A 4Q7S 4Q83 4Q7V 3M1J 2HOC 4YYT 4Q9Y 4Q78 4FVO 3T5U 6I2F 5W2K 4YXO 4E3D 4FPT 2QO8 6I1U 4Q8X 3V5G 4MLT 4Q7P 2HD6 4FU5 2HL4 5THJ |
| HGB | 3IBL 5FDI 1ZE8 4XE1 2AW1 1BV3 5T74 1F2W 2F14 5BYI 3K34 3V5G 5T72 5T71 4MTY 5FDC 5JQT 4QY3 3IBU 3IBI 3IBN |
| BE7 | 1ZH9 1ZGF 1ZFK 1Z9Y 6HQX 5LL8 4UXM 3KNE 1ZGE 3M04 3M1K 1ZFQ 3M2X 3M14 3M2Y |
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 NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.