BMRB Entry 25755

Name: NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein
Published: 2016-08-15

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PDB ID: 2n69
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25755
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein

Deposition date: 2015-08-14 Original release date: 2016-08-15

Authors: Singarapu, Kiran; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba

Citation: Singarapu, Kiran; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba. "NMR structure of non-sweet mutant (ins18RI19) of sweet protein Brazzein" To be Published ., .-..

Assembly members:
Brz_RI, polymer, 56 residues, 6778.738 Da.

Natural source: Common Name: eudicots Taxonomy ID: 43545 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Pentadiplandra brazzeana

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

Entity Sequences (FASTA):
Brz_RI: QDKCKKVYENYPVSKCQLRI ANQCNYDCKLDKHARSGECF YDEKRNLQCICDYCEY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	159
15N chemical shifts	59
1H chemical shifts	359

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 56 residues - 6778.738 Da.

1

GLN

ASP

LYS

CYS

LYS

VAL

TYR

GLU

ASN

2

TYR

PRO

VAL

SER

LYS

CYS

GLN

LEU

ARG

ILE

3

ALA

ASN

GLN

CYS

ASN

TYR

ASP

CYS

LYS

LEU

4

ASP

LYS

HIS

ALA

ARG

SER

GLY

GLU

CYS

PHE

5

TYR

ASP

GLU

LYS

ARG

ASN

LEU

GLN

CYS

ILE

6

CYS

ASP

TYR

CYS

GLU

TYR

Samples:

sample_1: Brz_RI, [U-100% 13C; U-100% 15N], 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 5.2; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

Molmol, Koradi, Billeter and Wuthrich - data analysis

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

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

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

PSVS, Bhattacharya and Montelione - data analysis

SPARKY, Goddard - data analysis

TALOS, Cornilescu, Delaglio and Bax - structure solution

XEASY, Bartels et al. - data analysis

NMR spectrometers:

Varian INOVA 600 MHz

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