BMRB Entry 27040

Name: NMR resonance assignments of a hypoallergenic isoform of the major birch pollen allergen Bet v 1
Published: 2017-08-10

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27040

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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:

NMR resonance assignments of a hypoallergenic isoform of the major birch pollen allergen Bet v 1

Deposition date:

2017-03-03

Original release date:

2017-08-10

Authors:

Ahammer, Linda; Grutsch, Sarina; Wallner, Michael; Ferreira, Fatima; Tollinger, Martin

Citation:

Citation: Grutsch, Sarina; Fuchs, Julian; Ahammer, Linda; Kamenik, Anna; Liedl, Klaus; Tollinger, Martin. "Conformational Flexibility Differentiates Naturally Occurring Bet v 1 Isoforms" Int. J. Mol. Sci. 18, E1192-E1192 (2017).
PubMed: 28587205

Assembly members:

Assembly members:
Bet_v_1.0102, polymer, 159 residues, 17417.69 Da.

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):
Bet_v_1.0102: GVFNYEIETTSVIPAARLFK AFILDGDNLVPKVAPQAISS VENIEGNGGPGTIKKINFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPVGDTLEKISN EIKIVATPDGGCVLKISNKY HTKGNHEVKAEQVKASKEMG ETLLRAVESYLLAHSDAYN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	620
15N chemical shifts	152
1H chemical shifts	985

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Bet v 1.0102, subunit 1	1
2	Bet v 1.0102, subunit 2	1

Entities:

Entity 1, Bet v 1.0102, subunit 1 159 residues - 17417.69 Da.

1

GLY

VAL

PHE

ASN

TYR

GLU

ILE

GLU

THR

2

SER

VAL

ILE

PRO

ALA

ARG

LEU

PHE

LYS

3

ALA

PHE

ILE

LEU

ASP

GLY

ASP

ASN

LEU

VAL

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

ASN

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

VAL

GLY

ASP

THR

LEU

GLU

LYS

ILE

SER

ASN

11

GLU

ILE

LYS

ILE

VAL

ALA

THR

PRO

ASP

GLY

12

GLY

CYS

VAL

LEU

LYS

ILE

SER

ASN

LYS

TYR

13

HIS

THR

LYS

GLY

ASN

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: Bet v 1.0102, [U-99% 13C; U-99% 15N], 0.8 mM; sodium phosphate 10 mM; sodium chloride 50 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCCO)NH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

NMR spectrometers:

Varian DD2 500 MHz

UNP	P43177
AlphaFold	P43177