BMRB Entry 26064

Name: NMR solution structure of PawS Derived Peptide 22 (PDP-22)
Published: 2016-12-01

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PDB ID: 2ndl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26064
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:

NMR solution structure of PawS Derived Peptide 22 (PDP-22)

Deposition date:

2016-07-17

Original release date:

2016-12-01

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_22_(PDP-22), polymer, 16 residues, 1721.035 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_22_(PDP-22): GPCFPMGPWGPFCIPD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	43
15N chemical shifts	11
1H chemical shifts	94

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 16 residues - 1721.035 Da.

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

1

GLY

PRO

CYS

PHE

PRO

MET

GLY

PRO

TRP

GLY

2

PRO

PHE

CYS

ILE

PRO

ASP

Samples:

sample_1: PawS Derived Peptide 22 (PDP-22) 2 mg/mL

sample_conditions_1: pressure: 1 atm; temperature: 298 K

sample_conditions_2: 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 1H-13C HSQC	sample_1	isotropic	sample_conditions_2
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