BMRB Entry 18643

Name: NMR solution structure of PawS Derived Peptide 4 (PDP-4)
Published: 2013-08-15

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PDB ID: 2lws
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18643
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of PawS Derived Peptide 4 (PDP-4)

Deposition date:

2012-08-06

Original release date:

2013-08-15

Authors:

Elliott, Alysha; Mylne, Joshua; Rosengren, Johan

Citation:

Citation: Elliott, Alysha; Delay, Christina; Liu, Huanle; Phua, Zaiyang; Rosengren, K. Johan; Benfield, Aurelie; Panero, Jose; Colgrave, Michelle; Jayasena, Achala; Dunse, Kerry; Anderson, Marilyn; Schilling, Edward; Ortiz-Barrientos, Daniel; Craik, David; Mylne, Joshua. "Evolutionary Origins of a Bioactive Peptide Buried within Preproalbumin." Plant Cell 26, 981-995 (2014).
PubMed: 24681618

Assembly members:

Assembly members:
PDP-4, polymer, 12 residues, 1367.559 Da.

Natural source:

Natural source: Common Name: Iostephane heterophylla Taxonomy ID: 1048901 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Iostephane heterophylla

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDP-4: GSCFGAFCFRRD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	21
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PawS Derived Peptide 4 (PDP-4)	1

Entities:

Entity 1, PawS Derived Peptide 4 (PDP-4) 12 residues - 1367.559 Da.

1

GLY

SER

CYS

PHE

GLY

ALA

PHE

CYS

PHE

ARG

2

ARG

ASP

Samples:

sample_1: PDP-4 5 mg/mL; DMSO 10%; H2O 80%; D2O 10%

sample_2: PDP-4 5 mg/mL; DMSO 10%; D2O 90%

sample_conditions_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 280 K

Experiments:

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

Software:

TOPSPIN v3.0, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 500 MHz