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
Deposition date:
2018-05-05
Original release date:
2018-11-16
Authors:
Laurents, Douglas; Trevino, Miguel; Mompean, Miguel; Pantoja, David
Citation:

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).
PubMed: 30430829

Assembly members:

Assembly members:
sfAFP, 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):
sfAFP: CKGADGAHGVNGCPGTAGAA GSVGGPGCDGGHGGNGGNGN PGCAGGVGGAGGASGGTGVG GRGGKGGSGTPKGADGAPGA P

Data sets:
Data typeCount
13C chemical shifts196
15N chemical shifts72
1H chemical shifts186
H exchange rates41
coupling constants64
heteronuclear NOE values59

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Hypogastrura harveyi Antifreeze Protein1

Entities:

Entity 1, Hypogastrura harveyi 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: 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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_3
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_3
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_3
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_3
3D 1H-15N NOESYsample_1isotropicsample_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 peaks
SPARKY: Backbone or all simulated peaks