BMRB Entry 16020
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16020
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Title: Magic-Angle-Spinning Solid-State NMR Structure of Influenza A M2 Transmembrane Domain PubMed: 19061899
Deposition date: 2008-11-04 Original release date: 2009-02-04
Authors: Hong, Mei; Cady, Sarah; Mishanina, Tatiana
Citation: Cady, Sarah; Mishanina, Tatiana; Hong, Mei. "Structure of Amantadine-Bound M2 Transmembrane Peptide of Influenza A in Lipid Bilayers from Magic-Angle-Spinning Solid-State NMR: the Role of Ser31 in Amantadine Binding" J. Mol. Biol. 385, 1127-1141 (2009).
Assembly members:
M2_Transmembrane_Peptide, polymer, 25 residues, 2688.241 Da.
308, non-polymer, 151.249 Da.
Natural source: Common Name: Influenzavirus A Taxonomy ID: 197911 Superkingdom: Viruses Kingdom: not available Genus/species: Influenzavirus A not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
M2_Transmembrane_Peptide: SSDPLVVAASIIGILHLIAW
ILDRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 51 |
| 15N chemical shifts | 11 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | M2 Transmembrane Peptide_1 | 1 |
| 2 | M2 Transmembrane Peptide_2 | 1 |
| 3 | M2 Transmembrane Peptide_3 | 1 |
| 4 | M2 Transmembrane Peptide_4 | 1 |
| 5 | AMANTADINE | 2 |
Entities:
Entity 1, M2 Transmembrane Peptide_1 25 residues - 2688.241 Da.
| 1 | SER | SER | ASP | PRO | LEU | VAL | VAL | ALA | ALA | SER | ||||
| 2 | ILE | ILE | GLY | ILE | LEU | HIS | LEU | ILE | ALA | TRP | ||||
| 3 | ILE | LEU | ASP | ARG | LEU |
Entity 2, AMANTADINE - C10 H17 N - 151.249 Da.
| 1 | 308 |
Samples:
M2_Transmembrane_Peptide_sample: M2 Transmembrane Peptide, Selective U-13C, 15N labeled, 4 – 6 mg; Amantadine15 – 25 mg; DLPC15 – 25 mg; sodium phosphate 10 mM; sodium azide .1 mM; EDTA 1 mM; H2O20 – 25 mg
M2_Transmembrane_Peptide_conditions: pH: 7.5; pressure: 1 atm; temperature: 243 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D_13C-13C_DQF_COSY | M2_Transmembrane_Peptide_sample | solid | M2_Transmembrane_Peptide_conditions |
| 2D_15N-13C_HETCOR | M2_Transmembrane_Peptide_sample | solid | M2_Transmembrane_Peptide_conditions |
| 2D_DARR | M2_Transmembrane_Peptide_sample | solid | M2_Transmembrane_Peptide_conditions |
| 2D_INADEQUATE | M2_Transmembrane_Peptide_sample | solid | M2_Transmembrane_Peptide_conditions |
Software:
TOPSPIN v1.3, Bruker Biospin - collection
InsightII v2005, Accelrys Software Inc. - structure solution
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker DRX 400 MHz