BMRB Entry 25725

Name: Solution structure of cystein-rich peptide jS1 from Jasminum sambac
Published: 2016-07-25

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PDB ID: 2n5q
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25725
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of cystein-rich peptide jS1 from Jasminum sambac

Deposition date:

2015-07-24

Original release date:

2016-07-25

Authors:

Shin, Joon; Kumari, Geeta; Serra, Aida; Nguyen, Phuong; Yoon, Ho Sup; Tam, James

Citation:

Citation: Kumari, Geeta; Serra, Aida; Shin, Joon; Nguyen, Phuong; Sze, Siu Kwan; Yoon, Ho Sup; Tam, James. "Cysteine-Rich Peptide Family with Unusual Disulfide Connectivity from Jasminum sambac" J. Nat. Prod. 78, 2791-2799 (2015).
PubMed: 26555361

Assembly members:

Assembly members:
entity, polymer, 27 residues, 3132.687 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Jasminum sambac Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: QLCLQCRSNSDCNIIWRICR DGCCNVI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	179

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 27 residues - 3132.687 Da.

1

GLN

LEU

CYS

LEU

GLN

CYS

ARG

SER

ASN

SER

2

ASP

CYS

ASN

ILE

TRP

ARG

ILE

CYS

ARG

3

ASP

GLY

CYS

ASN

VAL

ILE

Samples:

sample_1: jS10.7 – 1.0 mM; H2O 90%; D2O, [U-2H], 10%; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.01 % w/v

sample_2: jS10.7 – 1.0 mM; D2O, [U-2H], 100%; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.01 % w/v

sample_conditions_1: pH: 7.0; 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 TOCSY	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

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

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

SPARKY, Goddard - data analysis

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

NMR spectrometers:

Bruker Avance 700 MHz