BMRB Entry 36041

Name: Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers
Published: 2019-01-09

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PDB ID: 5wxe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36041
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:

Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers

Deposition date:

2017-01-07

Original release date:

2019-01-09

Authors:

Kumari, G.; Wong, K.; Serra, A.; Shin, J.; Yoon, H.; Sze, S.; James, P.

Citation:

Citation: Kumari, G.; Wong, K.; Serra, A.; Shin, J.; Yoon, H.; Sze, S.; James, P.. "Molecular diversity and function of jasmintides from Jasminum sambac." BMC Plant Biol. 18, 144-144 (2018).
PubMed: 29996766

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 3226.774 Da.

Natural source:

Natural source: Common Name: Jasminum sambac Taxonomy ID: 660624 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Jasminum sambac

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Jasminum sambac

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QLCLLCQTSRDCNYIIWTVC RDGCCNIS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	186

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 28 residues - 3226.774 Da.

1

GLN

LEU

CYS

LEU

CYS

GLN

THR

SER

ARG

2

ASP

CYS

ASN

TYR

ILE

TRP

THR

VAL

CYS

3

ARG

ASP

GLY

CYS

ASN

ILE

SER

Samples:

sample_1: jasmintide js3 0.7 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: jasmintide js3 0.7 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 50 mM; pH: 7; 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 DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

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

SPARKY, Goddard - data analysis

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

Bruker Avance 700 MHz