BMRB Entry 27687

Name: NMR resonance assignments of the peach allergen Pru p 1
Published: 2019-01-08

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PDB ID: 6z98
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27687
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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 the peach allergen Pru p 1

Deposition date:

2018-11-09

Original release date:

2019-01-08

Authors:

Fuehrer, Sebastian; Trimmel, Simone; Breuker, Kathrin; Tollinger, Martin

Citation:

Citation: Fuehrer, Sebastian; Trimmel, Simone; Breuker, Kathrin; Tollinger, Martin. "NMR resonance assignments of the pathogenesis-related peach allergen Pru p 1.0101" Biomol. NMR Assignments 13, 127-130 (2018).
PubMed: 30542820

Assembly members:

Assembly members:
Pru_p_1.0101, polymer, 159 residues, Formula weight is not available

Natural source:

Natural source: Common Name: peach Taxonomy ID: 3760 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Prunus persica

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pru_p_1.0101: GVFTYESEFTSEIPPPRLFK AFVLDADNLVPKIAPQAIKH SEILEGDGGPGTIKKITFGE GSQYGYVKHKIDSIDKENHS YSYTLIEGDALGDNLEKISY ETKLVASPSGGSIIKSTSHY HTKGDVEIKEEHVKAGKEKA SNLFKLIETYLKGHPDAYN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	615
15N chemical shifts	150
1H chemical shifts	949

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pru p 1.0101	1

Entities:

Entity 1, Pru p 1.0101 159 residues - Formula weight is not available

1

GLY

VAL

PHE

THR

TYR

GLU

SER

GLU

PHE

THR

2

SER

GLU

ILE

PRO

ARG

LEU

PHE

LYS

3

ALA

PHE

VAL

LEU

ASP

ALA

ASP

ASN

LEU

VAL

4

PRO

LYS

ILE

ALA

PRO

GLN

ALA

ILE

LYS

HIS

5

SER

GLU

ILE

LEU

GLU

GLY

ASP

GLY

PRO

6

GLY

THR

ILE

LYS

ILE

THR

PHE

GLY

GLU

7

GLY

SER

GLN

TYR

GLY

TYR

VAL

LYS

HIS

LYS

8

ILE

ASP

SER

ILE

ASP

LYS

GLU

ASN

HIS

SER

9

TYR

SER

TYR

THR

LEU

ILE

GLU

GLY

ASP

ALA

10

LEU

GLY

ASP

ASN

LEU

GLU

LYS

ILE

SER

TYR

11

GLU

THR

LYS

LEU

VAL

ALA

SER

PRO

SER

GLY

12

GLY

SER

ILE

LYS

SER

THR

SER

HIS

TYR

13

HIS

THR

LYS

GLY

ASP

VAL

GLU

ILE

LYS

GLU

14

GLU

HIS

VAL

LYS

ALA

GLY

LYS

GLU

LYS

ALA

15

SER

ASN

LEU

PHE

LYS

LEU

ILE

GLU

THR

TYR

16

LEU

LYS

GLY

HIS

PRO

ASP

ALA

TYR

ASN

Samples:

sample_1: Pru p 1.0101, [U-99% 13C; U-99% 15N], 0.6 mM; sodium phosphate 20 mM

sample_2: Pru p 1.0101, [U-99% 15N], 0.5 mM; sodium phosphate 20 mM

sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	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 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D (H)CC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

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