BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25630

Title: NMR spatial structure of nonspecific lipid transfer protein from the dill Anethum graveolens L.   PubMed: 26680443

Deposition date: 2015-05-19 Original release date: 2016-03-28

Authors: Mineev, Konstantin; Melnikova, Daria; Finkina, Ekaterina; Arseniev, Alexander; Ovchinnikova, Tatiana

Citation: Melnikova, Daria; Mineev, Konstantin; Finkina, Ekaterina; Arseniev, Alexander; Ovchinnikova, Tatiana. "A novel lipid transfer protein from the dill Anethum graveolens L.: isolation, structure, heterologous expression, and functional characteristics"  J. Pept. Sci. 22, 59-66 (2016).

Assembly members:
entity, polymer, 93 residues, 9541.108 Da.

Natural source:   Common Name: dill   Taxonomy ID: 40922   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Anethum graveolens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity: LTCGQVTGALAPCLGYLRTA GSVPVPLTCCNGVRGLNNAA RTTIDRRTACNCLKQTANAI ADLNLNAAAGLPAKCGVNIP YKISPSTDCNRVV

Data sets:
Data typeCount
13C chemical shifts361
15N chemical shifts102
1H chemical shifts626

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 93 residues - 9541.108 Da.

1   LEUTHRCYSGLYGLNVALTHRGLYALALEU
2   ALAPROCYSLEUGLYTYRLEUARGTHRALA
3   GLYSERVALPROVALPROLEUTHRCYSCYS
4   ASNGLYVALARGGLYLEUASNASNALAALA
5   ARGTHRTHRILEASPARGARGTHRALACYS
6   ASNCYSLEULYSGLNTHRALAASNALAILE
7   ALAASPLEUASNLEUASNALAALAALAGLY
8   LEUPROALALYSCYSGLYVALASNILEPRO
9   TYRLYSILESERPROSERTHRASPCYSASN
10   ARGVALVAL

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 0.5 mM; sodium phosphate 20 mM; glycerol 10 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - data analysis, structure solution

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis

qMDD v2.5, Orekhov and Mayzel - processing

nmrPIPE, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts