BMRB Entry 51324

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51324

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Title:
NMR Parameters of the Reduced, Unfolded Short Isoform of Hypogastrura harveyi "snow flea" Antifreeze Protein
Deposition date:
2022-02-11
Original release date:
2022-11-04
Authors:
Trevino, Miguel; Pantoja-Uceda, David; Mompean, Miguel; Laurents, Douglas
Citation:

Citation: Trevino, Miguel; Redondo Moya, Maria; Lopez Sanchez, Ruben; Pantoja-Uceda, David; Mompean, Miguel; Laurents, Douglas. "Insight into polyproline II helical bundle stability in an antifreeze protein denatured state"  Biophys. J. 121, 4560-4568 (2022).
PubMed: 36815707

Assembly members:

Assembly members:
entity_1, polymer, 81 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Hypogastrura harveyi   Taxonomy ID: 351090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Hypogastrura harveyi

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET45b+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CKGADGAHGVNGCPGTAGAA GSVGGPGCDGGHGGNGGNGN PGCAGGVGGAGGASGGTGVG GRGGKGGSGTPKGADGAPGA P

Data typeCount
13C chemical shifts381
15N chemical shifts222
1H chemical shifts210

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein1

Entities:

Entity 1, Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein 81 residues - Formula weight is not available

1   CYSLYSGLYALAASPGLYALAHISGLYVAL
2   ASNGLYCYSPROGLYTHRALAGLYALAALA
3   GLYSERVALGLYGLYPROGLYCYSASPGLY
4   GLYHISGLYGLYASNGLYGLYASNGLYASN
5   PROGLYCYSALAGLYGLYVALGLYGLYALA
6   GLYGLYALASERGLYGLYTHRGLYVALGLY
7   GLYARGGLYGLYLYSGLYGLYSERGLYTHR
8   PROLYSGLYALAASPGLYALAPROGLYALA
9   PRO

Samples:

sample_1: D2O 10 ± 0.5 %; sodium azide 0.2 ± 0.01 mM; sodium hydrogen phosphate 5 ± 0.25 mM; TCEP 3 ± 0.15 mM; Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein, [U-95% 13C; U-95% 15N], 1.2 ± 0.05 mM; H2O 90 ± 0.5 %

sample_conditions_1: ionic strength: 0.01 M; pH: 2.5; pressure: 0.92 atm; temperature: 298.2 K

sample_conditions_2: ionic strength: 0.01 M; pH: 6.1; pressure: 0.92 atm; temperature: 278.2 K

sample_conditions_3: ionic strength: 0.01 M; pH: 2.5; pressure: 0.92 atm; temperature: 278.2 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
3D HNCAsample_1isotropicsample_conditions_2
3D HNCOsample_1isotropicsample_conditions_2
3D CBCA(CO)NHsample_1isotropicsample_conditions_2
T1/R1 relaxationsample_1isotropicsample_conditions_2
T1rho/R1rho relaxationsample_1isotropicsample_conditions_2
1H-15N heteronoesample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_3
T1/R1 relaxationsample_1isotropicsample_conditions_3
T1rho/R1rho relaxationsample_1isotropicsample_conditions_3
1H-15N heteronoesample_1isotropicsample_conditions_3
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.0.8 - collection, processing

NMRFAM-SPARKY v3.13 - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

Related Database Links:

Uniprot Q38PT6 (Q38PT6_9HEXA)
AlphaFold Q38PT6

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks