BMRB Entry 25753

Name: NMR Structure of sweeter mutant (D40K) of sweet protein Brazzein
Published: 2016-08-15

Click here to enlarge.

PDB ID: 2n66
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25753
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

NMR Structure of sweeter mutant (D40K) of sweet protein Brazzein

Deposition date:

2015-08-13

Original release date:

2016-08-15

Authors:

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

Citation:

Citation: Singarapu, Kiran; Tonelli, Marco; Markley, John; Assadi-Porter, Fariba. "NMR Structure of sweeter mutant (D40K) of sweet protein Brazzein" To be Published ., .-..

Assembly members:

Assembly members:
entity, polymer, 54 residues, 6522.477 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET24d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: QDKCKKVYENYPVSKCQLAN QCNYDCKLDKHARSGECFYK EKRNLQCICDYCEY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	156
15N chemical shifts	57
1H chemical shifts	349

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 54 residues - 6522.477 Da.

1

GLN

ASP

LYS

CYS

LYS

VAL

TYR

GLU

ASN

2

TYR

PRO

VAL

SER

LYS

CYS

GLN

LEU

ALA

ASN

3

GLN

CYS

ASN

TYR

ASP

CYS

LYS

LEU

ASP

LYS

4

HIS

ALA

ARG

SER

GLY

GLU

CYS

PHE

TYR

LYS

5

GLU

LYS

ARG

ASN

LEU

GLN

CYS

ILE

CYS

ASP

6

TYR

CYS

GLU

TYR

Samples:

sample_1: D40K, [U-100% 13C; U-100% 15N], 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: 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
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 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	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 - data analysis

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

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