BMRB Entry 18706

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PDB ID: 2ly0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18706
MolProbity Validation Chart

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Title:
Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332
Deposition date:
2012-09-10
Original release date:
2013-01-07
Authors:
Wu, Yibing; Wang, Jun; DeGrado, William
Citation:

Citation: Wang, Jun; Wu, Yibing; Ma, Chunlong; Fiorin, Giacomo; Wang, Jizhou; Pinto, Lawrence; Lamb, Robert; Klein, Michael; Degrado, William. "Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus."  Proc. Natl. Acad. Sci. U.S.A. 110, 1315-1320 (2013).
PubMed: 23302696

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3497.151 Da.
(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, non-polymer, 315.453 Da.

Natural source:

Natural source:   Common Name: influenza A virus   Taxonomy ID: 11320   Superkingdom: Viruses   Kingdom: not available   Genus/species: Influenzavirus A influenza A virus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SNDSSDPLVVAANIIGILHL ILWILDRLFFK

Data sets:
Data typeCount
13C chemical shifts114
15N chemical shifts30
1H chemical shifts233

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1influenza A virus S31N mutant (19-49), 11
2influenza A virus S31N mutant (19-49), 21
3influenza A virus S31N mutant (19-49), 31
4influenza A virus S31N mutant (19-49), 41
5(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium2

Entities:

Entity 1, influenza A virus S31N mutant (19-49), 1 31 residues - 3497.151 Da.

1   SERASNASPSERSERASPPROLEUVALVAL
2   ALAALAASNILEILEGLYILELEUHISLEU
3   ILELEUTRPILELEUASPARGLEUPHEPHE
4   LYS

Entity 2, (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium - C18 H23 N2 O S - 315.453 Da.

1   A2Y

Related Database Links:

BMRB 25233
PDB 2KIH 2LY0 2N70
DBJ BAF57530 BAF57560 BAF57568 BAF57572 BAF57576
GB AAO46704 AAY98109 AAY98219 AAZ38475 AAZ38596
SP A4U6V3 P0C5T4
AlphaFold A4U6V3 P0C5T4

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