(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: O2G
File name: alatis_output_compound.sdf
|
Formula: C12H18N5O7P1 Compound mass: 375.2737 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.36
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [3, 6, 7, 24, 8]
Fragment all atoms: [3, 32, 33, 6, 37, 18, 41, 7, 38, 4, 34, 35, 23, 24, 8, 39, 17]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| O2G | 2W9C 2W9A 2W9B |
| G49 | 277D 427D 278D 380D 1QDA 381D 1D33 |
| 2EG | 2HMD 3EPG 3EPI 2HMR |
| 0AD | 2KV6 |
| M2G | 4NXN 4LFB 6N9E 4JI7 4LFA 1TTT 5WIS 4JI4 4X66 4V4J 5WIT 6CAE 4V7H 5M1J 5J4C 4X62 4LFC 4DR4 1SZ1 4DV0 1JGP 6QNQ 1JGO 4DR5 4Z3S 4DUZ 5FDU 6B4V 5J30 5DFE 4X64 1FCW 6CAR 1MJ1 5DOX 6ND6 4Y4P 4JI5 6ND5 6BOK 4DR2 6NDK 1TRA 6FYX 1F7V 6QNR 4DV6 1YFG 4JI3 5J4B 4CXH 4DR6 3JAQ 5WNP 5UQ7 6CFK 6FYY 6CAO 2Z9Q 6OF1 6CAQ 4Y4O 3CJZ 4LF8 5WNT 4V42 5V8I 5W4K 4DR3 4DR1 4LF7 4V4I 5WNS 1GIX 3DEG 4TNA 1TN2 6CFL 2DLC 5WNQ 6BOH 2OW8 4LF5 486D 4DV7 1JGQ 4JI8 1OB2 4DV4 5DOY 4DV2 4JI0 6UO1 6TNA 1TN1 4DV1 1F7U 4X65 6N9F 4TRA 4NXM 4LF6 1ML5 5FDV 2QNH 5BR8 5WNV 3JYV 6CFJ 5J3C 6CZR 4LF9 4V68 6GSM 1EHZ 4ZER 1OB5 6O97 4JI2 6FKR 5J4D 5VP2 3FIC 5UQ8 4JI6 4DR7 4KVB 4DV3 4JI1 6CAS 4CXG 5CZP 4Z3R 5WNU 4Z3Q 1EVV 6CAP 4DV5 5WNR 4LF4 4DUY 5F8K |
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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