BMRB Entry 50812

Name: NMR resonance assignment of the golden kiwi fruit allergen Act c 8.0101
Published: 2021-06-25

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PDB ID: 8qhh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50812
MolProbity Validation Chart

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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 assignment of the golden kiwi fruit allergen Act c 8.0101

Deposition date:

2021-03-09

Original release date:

2021-06-25

Authors:

Zeindl, Ricarda; Tollinger, Martin

Citation:

Citation: Zeindl, Ricarda; Tollinger, Martin. "NMR resonance assignments of the PR-10 allergens Act c 8 and Act d 8 from golden and green kiwifruit" Biomol. NMR Assignments 15, 367-371 (2021).
PubMed: 34106433

Assembly members:

Assembly members:
entity_1, polymer, 158 residues, Formula weight is not available

Natural source:

Natural source: Common Name: kiwi fruit Taxonomy ID: 3627 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Actinidia deliciosa

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GVVTYDMEIPSKVPPVKLYK AFILDGDTLVPKVLPHAIKC VKILEGDGCAGTIKEVTFGE GSHHKCVKQRVDAIDKDNLT YSYTIIEGDVLAEKFESISY HIKIVACPDGGSICKNRSIY TTKGDCKVSEEEIKLGKEKA AEIFKALEAYLLANPDYC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	653
15N chemical shifts	151
1H chemical shifts	989

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Act c 8.0101	1

Entities:

Entity 1, Act c 8.0101 158 residues - Formula weight is not available

1

GLY

VAL

THR

TYR

ASP

MET

GLU

ILE

PRO

2

SER

LYS

VAL

PRO

VAL

LYS

LEU

TYR

LYS

3

ALA

PHE

ILE

LEU

ASP

GLY

ASP

THR

LEU

VAL

4

PRO

LYS

VAL

LEU

PRO

HIS

ALA

ILE

LYS

CYS

5

VAL

LYS

ILE

LEU

GLU

GLY

ASP

GLY

CYS

ALA

6

GLY

THR

ILE

LYS

GLU

VAL

THR

PHE

GLY

GLU

7

GLY

SER

HIS

LYS

CYS

VAL

LYS

GLN

ARG

8

VAL

ASP

ALA

ILE

ASP

LYS

ASP

ASN

LEU

THR

9

TYR

SER

TYR

THR

ILE

GLU

GLY

ASP

VAL

10

LEU

ALA

GLU

LYS

PHE

GLU

SER

ILE

SER

TYR

11

HIS

ILE

LYS

ILE

VAL

ALA

CYS

PRO

ASP

GLY

12

GLY

SER

ILE

CYS

LYS

ASN

ARG

SER

ILE

TYR

13

THR

LYS

GLY

ASP

CYS

LYS

VAL

SER

GLU

14

GLU

ILE

LYS

LEU

GLY

LYS

GLU

LYS

ALA

15

ALA

GLU

ILE

PHE

LYS

ALA

LEU

GLU

ALA

TYR

16

LEU

ALA

ASN

PRO

ASP

TYR

CYS

Samples:

sample_1: Act c 8.0101, [U-99% 15N], 0.5 mM; sodium phosphate 20 mM

sample_2: Act c 8.0101, [U-99% 13C; 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_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH-TOCSY	sample_2	isotropic	sample_conditions_1
3D (H)CC(CO)NH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D (HB)CB(CGCD)HD	sample_2	isotropic	sample_conditions_1
2D (HB)CB(CGCDCE)HE	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe - processing

CcpNMR - chemical shift assignment

NMR spectrometers:

Agilent DD2 500 MHz
Bruker AVANCE NEO 700 MHz

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