BMRB Entry 30979

Name: Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds
Published: 2022-01-28

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PDB ID: 7th8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30979
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:

Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds

Deposition date:

2022-01-10

Original release date:

2022-01-28

Authors:

Buchko, G.; Zhou, M.; Shah, D.; Velivelli, S.

Citation:

Citation: Godwin, James; Djami-Tchatchou, Arnaud Thierry; Velivelli, Siva; Tetorya, Meenakshi; Kalunke, Raviraj; Pokhrel, Ambika; Zhou, Mowei; Buchko, Garry; Czymmek, Kirk; Shah, Dilip. "Chickpea NCR13 disulfide cross-linking variants exhibit profound differences in antifungal activity and modes of action" PLoS Pathog. 20, e1012745-e1012745 (2024).
PubMed: 39621770

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3741.605 Da.

Natural source:

Natural source: Common Name: chickpea Taxonomy ID: 3827 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Cicer arientinum

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ATKPCQSDKDCKKFACRKPK VPKCINGFCKCVR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	87
15N chemical shifts	30
1H chemical shifts	201

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 33 residues - 3741.605 Da.

1

ALA

THR

LYS

PRO

CYS

GLN

SER

ASP

LYS

ASP

2

CYS

LYS

PHE

ALA

CYS

ARG

LYS

PRO

LYS

3

VAL

PRO

LYS

CYS

ILE

ASN

GLY

PHE

CYS

LYS

4

CYS

VAL

ARG

Samples:

sample_1: sodium acetate 20 ± 1 mM; sodium chloride 50 ± 1 mM; Def13_B2, [U-98% 15N], 1 ± 0.2 mM

sample_2: sodium acetate 20 ± 1 mM; sodium chloride 50 ± 1 mM; Def13_B2, [U-98% 15N], 1 ± 0.2 mM

sample_conditions_1: ionic strength: 70 mM; pH: 5.3; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	anisotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	anisotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	anisotropic	sample_conditions_1

Software:

Felix v75, Accelrys Software Inc. - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMRFAM-SPARKY v3.135, bob - data analysis

PSVS v1.5, Bhattacharya and Montelione - data analysis

PdbStat, unknown - processing

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AVANCE III 750 MHz

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