(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PPS
File name: alatis_output_compound.sdf
|
Formula: C10H15N5O13P2S1 Compound mass: 507.2637999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H7N1O4
Fragment probability: 1.00
Fragment mass: 145.1131
Fragment main chain atoms: [7, 6, 10, 26, 4]
Fragment all atoms: [7, 38, 27, 6, 37, 16, 42, 10, 39, 15, 26, 4, 36, 1, 32, 33, 25]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PPS | 4IFB 1BUX 2ZYT 3CR7 1M8P 1HY3 2OFX 2ZYV 2ZYU 3F3M |
| ADX | 1JEE 1I2D 4BZQ 4MAF 2GOY 2OFW 2FJA 1M7G 4FXP 5CB6 5CB8 1M7H 1G8G 1G8H 1XNJ 2QJF 4BZX 2PEY 1V47 3UIE |
| GGZ | 2PEZ |
| A3P | 1OUQ 4NDZ 5WRI 3HYK 3U3K 4EEC 5X2B 1FMJ 2H8K 6MFE 3BFX 1Q20 1G3M 3AP3 1T8T 3F3Y 1X8K 1Z28 6B52 4JVM 3QVU 1Q22 5BYJ 4JVL 2ZVQ 2OQ2 5TIX 6B50 1FTH 2GWH 6BDR 6OTR 5IUF 2D06 3AP1 5WRJ 1AQU 3UAN 1O0F 1HI4 1X8L 1T8U 2ZYW 1VKJ 1EFH 1BO6 5T03 2A3R 3QVV 1Q1Q 4JVN 1X8J 6BDP 1Q1Z 3U3R 6B4X 2OVF 5TIZ 5BYK 5T0A 3U3M 4GBM 6OXI 5TIV 4W4G 5T05 1ZRH 1FML 3QMN 3AP2 2XG1 6B53 5TIW 3U3J 4MUB 6B4Y 2ZPT 6BDQ 1Q3V 1AQY 1NST 5MEK 3F5F 6B4Z 3RTB 2Z5F 6BDS 6B51 4V5K 3CKL 3U3O 6B54 4GRA 1Z29 4MUA 3BD9 2REO 2QG8 4GOX 6AIX 2ZVP 5TIY 6AIY 5DJG 1LS6 1CY0 1KA1 2XFZ |
| 2BA | 4QSK 4YP1 4QKA 6N5R 4QLM 4QLN 4RWW 4D3H 6IYF 4YS2 6N5T 5XSN 6N5K 4QK9 6N5L 6N5N 5CFN 4QK8 5VYZ 6N5O 3MUV 4W92 6A03 3C1Y 6N5S 4YXM 5F29 4QSH 4W90 6CY7 5VZ0 6N5Q 6N5P 5KS7 6HVL 4S1B 6CFF 4WK1 3C21 5UXF 4XTT 4RLE |
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 Open Babel software package is used in the CTPIC source codes.