BMRB Entry 19882
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19882
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Title: NMR structure of a peptoid analogue of maculatin G15 containing cis-Nleu at position 13
Deposition date: 2014-03-29 Original release date: 2014-07-16
Authors: Uggerhoej, Lars; Guentert, Peter; Wimmer, Reinhard
Citation: Uggerhoej, Lars; Munk, Jens; Hansen, Paul; Guentert, Peter; Wimmer, Reinhard. "Structural features of peptoid-peptide hybrids in lipid-water interfaces" Not known ., .-..
Assembly members:
entity, polymer, 22 residues, 1989.375 Da.
Natural source: Common Name: brown-spotted treefrog Taxonomy ID: 95132 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Litoria genimacula
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: GLFGVLAKVAAHXVGAIAEH
FX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 50 |
| 1H chemical shifts | 132 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 22 residues - 1989.375 Da.
| 1 | GLY | LEU | PHE | GLY | VAL | LEU | ALA | LYS | VAL | ALA | ||||
| 2 | ALA | HIS | I4G | VAL | GLY | ALA | ILE | ALA | GLU | HIS | ||||
| 3 | PHE | NH2 |
Samples:
sample_1: entity_1 3 mM; sodium azide 2 mM; SDS, [U-2H], 150 mM; potassium phosphate 10 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 310.1 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v1.3, Bruker Biospin - collection, processing
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution
TALOS+, Shen, Cornilescu, Delaglio and Bax - torsion angle constraints from chemical shifts
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker DRX 600 MHz