BMRB Entry 25272

Name: Backbone 1H, 13C and 15N and 13Ca and 13Cb chemical shift assignment of Bet v 1.0101
Published: 2019-07-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25272

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

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Title:

Backbone 1H, 13C and 15N and 13Ca and 13Cb chemical shift assignment of Bet v 1.0101

Deposition date:

2014-10-08

Original release date:

2019-07-11

Authors:

Grutsch, Sarina; Fuchs, Julian; Fischer, Regina; Kofler, Stefan; Bibi, Marium; Asam, Claudia; Wallner, Michael; Ferreira, F tima; Brandstetter, Hans; Liedl, Klaus

Citation:

Citation: Grutsch, Sarina; Fuchs, Julian; Freier, Regina; Kofler, Stefan; Bibi, Marium; Asam, Claudia; Wallner, Michael; Ferreira, Fatima; Brandstetter, Hans; Liedl, Klaus; Tollinger, Martin. "Ligand binding modulates the structural dynamics and compactness of the major birch pollen allergen" Biophys. J. 107, 2972-2981 (2014).
PubMed: 25517162

Assembly members:

Assembly members:
major_birch_pollen_allergen, polymer, 159 residues, Formula weight is not available

Natural source:

Natural source: Common Name: European white birch Taxonomy ID: 3505 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Betula verrucosa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
major_birch_pollen_allergen: GVFNYETETTSVIPAARLFK AFILDGDNLFPKVAPQAISS VENIEGNGGPGTIKKISFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPIGDTLEKISN EIKIVATPDGGSILKISNKY HTKGDHEVKAEQVKASKEMG ETLLRAVESYLLAHSDAYN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	406
15N chemical shifts	144
1H chemical shifts	144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	major birch pollen allergen	1

Entities:

Entity 1, major birch pollen allergen 159 residues - Formula weight is not available

1

GLY

VAL

PHE

ASN

TYR

GLU

THR

GLU

THR

2

SER

VAL

ILE

PRO

ALA

ARG

LEU

PHE

LYS

3

ALA

PHE

ILE

LEU

ASP

GLY

ASP

ASN

LEU

PHE

4

PRO

LYS

VAL

ALA

PRO

GLN

ALA

ILE

SER

5

VAL

GLU

ASN

ILE

GLU

GLY

ASN

GLY

PRO

6

GLY

THR

ILE

LYS

ILE

SER

PHE

PRO

GLU

7

GLY

PHE

PRO

PHE

LYS

TYR

VAL

LYS

ASP

ARG

8

VAL

ASP

GLU

VAL

ASP

HIS

THR

ASN

PHE

LYS

9

TYR

ASN

TYR

SER

VAL

ILE

GLU

GLY

PRO

10

ILE

GLY

ASP

THR

LEU

GLU

LYS

ILE

SER

ASN

11

GLU

ILE

LYS

ILE

VAL

ALA

THR

PRO

ASP

GLY

12

GLY

SER

ILE

LEU

LYS

ILE

SER

ASN

LYS

TYR

13

HIS

THR

LYS

GLY

ASP

HIS

GLU

VAL

LYS

ALA

14

GLU

GLN

VAL

LYS

ALA

SER

LYS

GLU

MET

GLY

15

GLU

THR

LEU

ARG

ALA

VAL

GLU

SER

TYR

16

LEU

ALA

HIS

SER

ASP

ALA

TYR

ASN

Samples:

sample_1: major birch pollen allergen, [U-100% 13C; U-100% 15N], 0.5-1 mM

sample_conditions_1: ionic strength: 5 mM; pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, CCPN - chemical shift assignment

NMR spectrometers:

Agilent DD2 500 MHz

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