BMRB Entry 27473
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27473
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Title: NMR Parameters for the Short Isoform of Hypogastrura harveyi "snow flea" Antifreeze Protein PubMed: 30430829
Deposition date: 2018-05-05 Original release date: 2018-11-16
Authors: Laurents, Douglas; Trevino, Miguel; Mompean, Miguel; Pantoja, David
Citation: Trevino, Miguel Angel; Pantoja-Uceda, David; Menendez, Margarita; Gomez, M Victoria; Mompean, Miguel; Laurents, Douglas. "The Singular NMR Fingerprint of a Polyproline II Helical Bundle." J. Am. Chem. Soc. 140, 16988-17000 (2018).
Assembly members:
sfAFP, polymer, 81 residues, Formula weight is not available
Natural source: Common Name: Hypogastrura harveyi Taxonomy ID: 351090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hypogastrura harveyi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET45b+
Entity Sequences (FASTA):
sfAFP: CKGADGAHGVNGCPGTAGAA
GSVGGPGCDGGHGGNGGNGN
PGCAGGVGGAGGASGGTGVG
GRGGKGGSGTPKGADGAPGA
P
- H_exch_rates
- assigned_chemical_shifts
- coupling_constants
- heteronucl_NOEs
Data type | Count |
13C chemical shifts | 196 |
15N chemical shifts | 72 |
1H chemical shifts | 186 |
H exchange rates | 41 |
coupling constants | 64 |
heteronuclear NOE values | 59 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Hypogastrura harveyi Antifreeze Protein | 1 |
Entities:
Entity 1, Hypogastrura harveyi Antifreeze Protein 81 residues - Formula weight is not available
1 | CYS | LYS | GLY | ALA | ASP | GLY | ALA | HIS | GLY | VAL | ||||
2 | ASN | GLY | CYS | PRO | GLY | THR | ALA | GLY | ALA | ALA | ||||
3 | GLY | SER | VAL | GLY | GLY | PRO | GLY | CYS | ASP | GLY | ||||
4 | GLY | HIS | GLY | GLY | ASN | GLY | GLY | ASN | GLY | ASN | ||||
5 | PRO | GLY | CYS | ALA | GLY | GLY | VAL | GLY | GLY | ALA | ||||
6 | GLY | GLY | ALA | SER | GLY | GLY | THR | GLY | VAL | GLY | ||||
7 | GLY | ARG | GLY | GLY | LYS | GLY | GLY | SER | GLY | THR | ||||
8 | PRO | LYS | GLY | ALA | ASP | GLY | ALA | PRO | GLY | ALA | ||||
9 | PRO |
Samples:
sample_1: H. harveyi antifreeze protein, [U-95% 13C; U-90% 15N], 0.35 ± 0.05 mM; sodium chloride 10 ± .1 mM; sodium dihydrogen phosphate 5 ± 0.1 mM
sample_2: H. harveyi antifreeze protein 0.35 ± 0.05 mM; sodium chloride 10 ± 0.1 mM; sodium dihydrogen phosphate 5 ± 0.1 mM
sample_3: H. harveyi antifreeze protein, [U-95% 13C; U-90% 15N], 0.35 ± 0.05 mM; sodium chloride 10 ± 0.1 mM; sodium dihydrogen phosphate 5 ± 0.1 mM
sample_conditions_1: ionic strength: 0.030 M; pH: 6.13; pressure: 1 atm; temperature: 273 K
sample_conditions_2: ionic strength: 0.030 M; pH: 6.13; pressure: 1 atm; temperature: 273 K
sample_conditions_3: ionic strength: 0.030 M; pH: 5.12; pressure: 1 atm; temperature: 273 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_2 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_3 |
2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_3 | isotropic | sample_conditions_3 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_3 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_3 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.13, Goddard - chemical shift assignment
Dynamics_Center v2.5.2, Bruker Biospin - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts