BMRB Entry 25630

Name: NMR spatial structure of nonspecific lipid transfer protein from the dill Anethum graveolens L.
Published: 2016-03-28

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PDB ID: 2n2z
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25630
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	361
15N chemical shifts	102
1H chemical shifts	626

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 93 residues - 9541.108 Da.

1

LEU

THR

CYS

GLY

GLN

VAL

THR

GLY

ALA

LEU

2

ALA

PRO

CYS

LEU

GLY

TYR

LEU

ARG

THR

ALA

3

GLY

SER

VAL

PRO

VAL

PRO

LEU

THR

CYS

4

ASN

GLY

VAL

ARG

GLY

LEU

ASN

ALA

5

ARG

THR

ILE

ASP

ARG

THR

ALA

CYS

6

ASN

CYS

LEU

LYS

GLN

THR

ALA

ASN

ALA

ILE

7

ALA

ASP

LEU

ASN

LEU

ASN

ALA

GLY

8

LEU

PRO

ALA

LYS

CYS

GLY

VAL

ASN

ILE

PRO

9

TYR

LYS

ILE

SER

PRO

SER

THR

ASP

CYS

ASN

10

ARG

VAL

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HNHB	sample_1	isotropic	sample_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