BMRB Entry 26065

Name: NMR solution structure of PawS Derived Peptide 21 (PDP-21)
Published: 2016-09-02

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PDB ID: 2ndm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26065
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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:

NMR solution structure of PawS Derived Peptide 21 (PDP-21)

Deposition date:

2016-07-17

Original release date:

2016-09-02

Authors:

Franke, Bastian; Jayasena, Achala; Fisher, Mark; Swedberg, Joakim; Taylor, Nicolas; Mylne, Joshua; Rosengren, K. Johan

Citation:

Citation: Franke, Bastian; Jayasena, Achala; Fisher, Mark; Swedberg, Joakim; Taylor, Nicolas; Mylne, Joshua; Rosengren, K. Johan. "Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana)" Biopolymers 106, 806-817 (2016).
PubMed: 27352920

Assembly members:

Assembly members:
PawS_Derived_Peptide_21_(PDP-21), polymer, 13 residues, 1487.684 Da.

Natural source:

Natural source: Common Name: eudicots Taxonomy ID: 1525732 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Zinnia haageana

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PawS_Derived_Peptide_21_(PDP-21): GRPCYTLQSCFPD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	36
15N chemical shifts	12
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PawS Derived Peptide 21 (PDP-21)	1

Entities:

Entity 1, PawS Derived Peptide 21 (PDP-21) 13 residues - 1487.684 Da.

This peptide is head-to-tail backbone cyclic. It has an amide bond between the N- and C-terminus.

1

GLY

ARG

PRO

CYS

TYR

THR

LEU

GLN

SER

CYS

2

PHE

PRO

ASP

Samples:

sample_1: PawS Derived Peptide 21 (PDP-21) 2 mg/mL; H2O 90%; D2O 10%

sample_2: PawS Derived Peptide 21 (PDP-21) 2 mg/mL; D2O 100%

sample_conditions_1: pH: 5.2; pressure: 1 atm; temperature: 283 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 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

ccpNmr, ccpnmr - data analysis, peak picking

Cyana, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 600 MHz

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