(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MGV
File name: alatis_output_compound.sdf
|
Formula: C17F1H20N5O8P1 Compound mass: 472.34079999999994 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.31
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [13, 12, 10, 31, 16]
Fragment all atoms: [13, 44, 25, 50, 12, 43, 24, 49, 10, 42, 6, 39, 40, 30, 31, 16, 45, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MGV | 2V8Y |
| MGQ | 2V8X |
| G7M | 6OSQ 5LZA 1EFW 6N1D 5LMU 5JC9 5E7K 5ME1 5LMR 6OUO 5LZD 5J7L 1XMM 5J91 6ORE 5IT8 5LZF 5W4K 5J5B 6Q9A 5U4J 5LMS 1C0A 5E81 5EL5 5V8I 5LZB 5FDV 5EL6 6OST 6NDK 4ZER 6CAO 5MDV 6I7V 5NO4 5LMV 6U48 6C4I 5LZE 4YBB 5MDW 6CZR 5MDZ 6Q98 6CAP 5EL7 6C4H 6OSK 6OT3 5NO2 5IQR 5LMT 6HRM 6Q97 5LZC 6CAS 1N1H 1QF6 5KCS 6CAR 5BR8 6ORL 5NO3 5ME0 6CAQ 5LMQ 5KCR 5MDY |
| 7BG | 4YN4 4YMN 4YMO 4YMM |
| 1MG | 1VTQ 5JC9 1VXM 5J88 5LZB 6C4H 5WE4 4V6V 4L71 4LFZ 1VXK 5KCR 1VVJ 1LUU 4L47 6ORE 5J91 5AFI 1VVZ 6FYY 4KX1 5VPO 1IL2 4V6N 5WFS 5U4I 5J7L 5L3P 4V6K 4V6P 5WDT 6ORL 1VX8 4LT8 5J8A 3J0Y 1VVR 6I7V 1F7U 5IT8 4WSM 6GSM 3J9Y 4KWZ 4YBB 5MDZ 1VXP 6OSK 5MDY 5VPP 4LNT 1YFG 486D 4V6O 6C4I 5LZF 5LZC 5NP6 1ASY 3J0T 3J0W 5KCS 1F7V 6OT3 3TRA 3J37 5LZE 3IZT 4LEL 4LSK 6OUO 5J5B 6Q97 1VXI 3J11 6FYX 6HRM 3J14 1VVX 5WE6 3JAQ 6OST 5WFK 1ASZ 4V6R 1VVL 4V6Q 6U48 1VXS 6Q98 5LZA 1VVN 5MDV 5IQR 5MDW 5LZD 1VVT 3IZU 6OSQ 3J12 6Q9A 4V6L 1VVV 4V6S 5WF0 1VVP 2TRA |
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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