BMRB Entry 25962

Name: NMR solution structure of PawS Derived Peptide 9 (PDP-9)
Published: 2016-06-27

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PDB ID: 2nb5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25962
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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 9 (PDP-9)

Deposition date:

2016-01-24

Original release date:

2016-06-27

Authors:

Armstrong, David; Franke, Bastian; Elliott, Alysha; Mylne, Joshua; Rosengren, K. Johan

Citation:

Citation: Elliott, Alysha; Franke, Bastian; Armstrong, David; Craik, David; Mylne, Joshua; Rosengren, K. Johan. "Natural Structural Diversity Within a Conserved Cyclic Peptide Scaffold" Amino Acids 49, 103-116 (2017).
PubMed: 27695949

Assembly members:

Assembly members:
PawS_Derived_Peptide_9_(PDP-9), polymer, 17 residues, 1938.108 Da.

Natural source:

Natural source: Common Name: Perymenium macrocephalum Taxonomy ID: 183067 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Perymenium macrocephalum

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: Not applicable Vector: Not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PawS_Derived_Peptide_9_(PDP-9): GDCYWTSTPPFFTCTPD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	103

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 17 residues - 1938.108 Da.

1

GLY

ASP

CYS

TYR

TRP

THR

SER

THR

PRO

2

PHE

THR

CYS

THR

PRO

ASP

Samples:

sample_1: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OH) 100 v/v %

sample_2: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OD), [U-2H], 100 v/v %

sample_conditions_1: pH: na; pressure: 1 atm; temperature: 288 K

sample_conditions_2: pH: na; pressure: 1 atm; temperature: 288 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 TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN v2, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis, peak picking

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz