BMRB Entry 34742

Name: Solution NMR structure of AG41, a 41-amino acid insecticidal protein extracted from Medicago truncatula
Published: 2023-05-24

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PDB ID: 8ahk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34742
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of AG41, a 41-amino acid insecticidal protein extracted from Medicago truncatula PubMed: 36979381

Deposition date: 2022-07-21 Original release date: 2023-05-24

Authors: Jouvensal, L.; Loth, K.

Citation: Diya, Fatima; Jouvensal, Laurence; Rahioui, Isabelle; Loth, Karine; Sivignon, Catherine; Karaki, Lamis; Kfoury, Linda; Rizk, Francine; Da Silva, Pedro. "Residues of Legume AG41 Peptide Crucial to Its Bio-Insecticidal Activity" Biomolecules 13, 446-446 (2023).

Assembly members:
entity_1, polymer, 41 residues, 4293.988 Da.

Natural source: Common Name: barrel medic Taxonomy ID: 3880 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Medicago truncatula

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: ASCPNVGAVCSPFETKPCGN VKDCRCLPWGLFFGTCINPT G

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	122
15N chemical shifts	34
1H chemical shifts	256

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 41 residues - 4293.988 Da.

1

ALA

SER

CYS

PRO

ASN

VAL

GLY

ALA

VAL

CYS

2

SER

PRO

PHE

GLU

THR

LYS

PRO

CYS

GLY

ASN

3

VAL

LYS

ASP

CYS

ARG

CYS

LEU

PRO

TRP

GLY

4

LEU

PHE

GLY

THR

CYS

ILE

ASN

PRO

THR

5

GLY

Samples:

sample_1: AG41 1.5 mM; TFE, D3, 50 % v/v; H2O 50 % v/v

sample_conditions_1: ionic strength: 0 Not defined; pH: 4.8; pressure: 1 atm; temperature: 293 K

Experiments:

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

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - data analysis

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

Bruker AVANCE III 700 MHz

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