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v 1.1 (Spring 2020)

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Process a structure file

Publication files:

Submission ID: M7G
File name: alatis_output_compound.sdf

Formula: C11H19N5O11P2
Compound mass: 459.24229999999994
Compound with ALATIS labels (download):

Download outputs in JSON format here.


Probabilities of the best carbohydrate fragment:

  • Fragment probability: 1.00
  • Compound probability: 0.34


List of identified carbohydrate fragments:

  • C5H8N1O4
    Fragment probability: 1.00
    Fragment mass: 146.121
    Fragment main chain atoms: [7, 6, 4, 26, 10]
    Fragment all atoms: [7, 39, 18, 45, 6, 38, 17, 44, 4, 37, 2, 33, 34, 25, 26, 10, 40, 16]



Most similar ligands:

Ligand Expo IDPDB protein complex ID
MDG
M7G1RF8
4TQC
5LOP
1XMM
5F98
4B6U
1AP8
1EJH
1EJ1
1V39
6IS0
5DTO
6RR7
5ME6
1EJ4
4OR4
4EMF
2IDV
5KQS
6C6K
3Q4P
5BV3
1JTF
6IRZ
5MSG
5H1M
3M93
2VP3
2JH8
M7M3JCM
6QW6
6QX9
3M94
MGT2VQZ
4N48
2PX8
5V4R
5EFA
5FMQ
5V87
5OO6
4NCE
4EQK
5OOB
1AV6
2A8T
5ZJZ
4ES5
5EG7
5ZK7
5H3T
5ZK5
5MUY
4CB4
4TQB
4UEC
1P39
4N49
2JGB
5FMM
6QHG
3WI1
7MG3J9Y
6N9F
4DV1
2Y10
5CZP
3J10
4RBB
6BOK
4Y4O
4DR4
5WDT
4WQF
5J4C
5WE4
2ROK
4LF4
4W2G
4WQR
6B4V
6UO1
6Q98
3J0U
6OF1
3J36
4W2I
1EVV
5WE6
4V6V
5IB7
5J88
6FKR
4RB7
6CAE
5VP2
6QNR
6N9E
2WRN
4W2F
2OW8
4JI4
4WPO
4JI1
5JU8
5AFI
3J5D
4Z3Q
4WQU
5IBB
6ND5
6BOH
6CFL
2Y0U
4Z3S
1C2W
5J30
4DR2
6QNQ
4V6N
4WR6
5DFE
5J8B
4LF8
1TN1
5WNR
6GSJ
5DOY
4LFA
1JGP
3IZV
1VY5
5IB8
5WIS
5WIT
1EHZ
1TTT
4WRO
5T5H
5WFS
4JI3
6GSM
5J8A
3IZU
3JAQ
4TNA
4QCM
1MJ1
3J0X
3D45
1FCW
4WSD
6SGC
4LF9
4V6R
6AZ1
4QCQ
4WZO
4DV4
4DR7
4RBH
6ND6
6O97
1JGQ
4LF7
4WT1
6Q9A
4V5G
2QNH
6CFK
3J0Z
3J59
4V6O
4V6K
3J0W
3J53
4V77
4X66
6TNA
4V74
4V6Q
1OB5
3J12
2Y14
5JTE
4V5L
6MTC
6GSL
5L3P
5WNP
486D
6EK0
4DR1
4V6Z
3J0T
5M1J
6CFJ
5EL4
5F8K
3J11
4RB9
1ML5
3J4V
5WF0
6FYX
2Y18
3J13
4V4J
4RBJ
4V79
6MTB
4Y4P
4V7H
5J4D
6HRM
4QJT
3J0V
1H2U
4V6P
5WFK
5FDU
4V5R
4V4I
4V6S
4V42
3J37
5J3C
4TRA
4JI2
1H2T
6MTD
4V5P
4Z3R
4DR6
6FYY
2Y0W
4V5Q
4V71
5J4B
5MDZ
4V68
1GIX
4X62
1SZ1
3J14
3IZW
5WNT
1VY4
4V76
4DR5
6MTE
1FIR
4JI7
1TRA
2XQD
5KCS
4JI6
5WNU
6ORL
4DV5
1YFG
4W2E
4QCO
4V5S
3IZT
4DV0
3FIC
5MDW
3DEG
4V73
4V6L
4DUZ
3J0Y
4RB5
4DV3
1JGO
4DR3
5ZLU
5WNV
2Y16
5NP6
3J5J
4CXG
3J5B
4V70
5UQ8
4X64
3J4Y
5MDY
4DV7
6Q97
4X65
2Y0Y
4V6Y
5IQR
4V7A
4V78
5UQ7
1OB2
4V75
4DUY
4LF6
4LFC
3JYV
3J57
3BBV
4JI0
5DOX
4QCS
4JI5
4V72
4DV6
3J4Z
3J55
4LF5
3J4W
4LFB
5WNS
4JI8
5WNQ
2Z9Q
1TN2
2Y12
3J5F
4DV2
5MDV
2WRQ
4CXH
4KVB
3J5H

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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

Disclaimer:

  • The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
  • The NetwrokX library is used in the CTPIC source codes.
  • The Open Babel software package is used in the CTPIC source codes.

Contact:

For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).