(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0KX
File name: alatis_output_compound.sdf
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Formula: C9H17N4O12P3 Compound mass: 466.17159999999996 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:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [3, 5, 6, 24, 8]
Fragment all atoms: [3, 31, 32, 5, 35, 14, 41, 6, 36, 4, 33, 34, 23, 24, 8, 37, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0KX | 6BRX 4U7C 4TUS 5KT2 4NLK 6P1P 4YMN 4O3N 4Q8E 5L1L 4PHD 4DL2 4RU9 4DL3 6CU9 5F9N 4MFC 4O5K 4IRC 4PHA 5KT4 4NY8 6P1V 4Q43 5W2A 5KT7 4Z6C 5L1K 6MXO 5KT6 4O3R 4O3P 4DL4 6MQ8 5KT5 4TUR 4YMO 4TUQ 4O3S 6CPQ 5KT3 5EOZ 4DL5 |
| 8CP | 5UGN 5UGP |
| DUP | 5J2D 3SI6 3UIQ 3TPN 5J2I 4WRK 5J2A 2PFN 1SJN 5HVA 5F9K 2XCE 4M9J 2FMQ 5J2K 2FMS 2PY4 3ZF1 5J2C 2CIC 3TQ3 2OKE 3ZF0 3TPY 2XY3 6BTF 4JWN 3EHW 4OOP 4GV8 3TQ4 5HWU 5NYZ 5HYL 3ZF5 5NZ2 2D4N 5J2J 5MYD 3H6D 5EDD 3SCX 3ZF4 3P48 2HQU 3SQ1 6HDE 2PFO 4GCY 3SQ0 4YD1 5MIL 5CCT 2BT1 1SIX 3ZEZ 5IIN 5IIM 5J2B 3S9H 4JWM 5J29 3TPS 5J2E 2HXD 4R66 3I93 2YAY 1RNJ 3HZA 5J2H 5ECT 3TP1 3C2K 3SJJ 3LOJ 5GNQ 6AKH 5J2F 4M04 1RN8 5J2G 3TPW 4KHQ 4R65 |
| 1FZ | 4Q45 6M7U 4NXZ 4O5E 6M7O 4Q44 4P2H 4IR1 4MFF 4Z6F 4Z6E 5L1J 4PGQ 5DGA 4YN4 6E3V 5DGB 4Z6D 4R8U 4PGX |
| DZ4 | 6Q02 6DSU 6CST 3MR3 5T14 5F9L 6D0Z 3JAA 4J9O 5W2C 3MR2 4IRD 4O3O 6M7P 6CUB 5DG8 6E3X 4DL7 6M7V 5DQG 6P1N 3MR4 4RNM 6BS1 3SI8 |
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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