BMRB Entry 30783

Name: NMR Solution Structure of plant defensin AtD90
Published: 2020-09-07

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PDB ID: 7jn6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30783
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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 Solution Structure of plant defensin AtD90

Deposition date:

2020-08-03

Original release date:

2020-09-07

Authors:

Harvey, P.; Craik, D.

Citation:

Citation: Bleackley, M.; Vasa, S.; Harvey, P.; Shafee, T.; Kerenga, B.; Soares Da Costa, T.; Craik, D.; Lowe, R.; Anderson, M.. "Histidine-Rich Defensins from theSolanaceaeandBrasicaceaeAre Antifungal and Metal Binding Proteins." J. Fungi (Basel) 6, 145-145 (2020).
PubMed: 32847065

Assembly members:

Assembly members:
entity_1, polymer, 52 residues, 6061.849 Da.

Natural source:

Natural source: Common Name: Mouse-ear cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Komagataella pastoris

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AHCDHFLGEAPVYPCKEKAC KSVCKEHYHHACKGECEYHG REVHCHCYGDYH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	115
15N chemical shifts	39
1H chemical shifts	316

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 52 residues - 6061.849 Da.

1

ALA

HIS

CYS

ASP

HIS

PHE

LEU

GLY

GLU

ALA

2

PRO

VAL

TYR

PRO

CYS

LYS

GLU

LYS

ALA

CYS

3

LYS

SER

VAL

CYS

LYS

GLU

HIS

TYR

HIS

4

ALA

CYS

LYS

GLY

GLU

CYS

GLU

TYR

HIS

GLY

5

ARG

GLU

VAL

HIS

CYS

HIS

CYS

TYR

GLY

ASP

6

TYR

HIS

Samples:

sample_1: peptide 1.0 mg/mL

sample_2: peptide 1.0 mg/mL

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-1H ECOSY	sample_2	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker AVANCE III HD 600 MHz

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