BMRB Entry 18418

Name: Pleurocidin-NH2
Published: 2013-04-01

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PDB ID: 2ls9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18418
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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:

Pleurocidin-NH2

Deposition date:

2012-04-24

Original release date:

2013-04-01

Authors:

Vermeer, Louic; Kozlowska, Justyna; Mason, James

Citation:

Citation: Vermeer, Louic; Kozlowska, Justyna; Lorenz, Chris; Mason, James. "All Atom Simulations of the Initial Binding of Magainin and Pleurocidin to Membranes Comprising of a Mixture of Anionic and Zwitterionic Lipids" .

Assembly members:

Assembly members:
pleurocidin, polymer, 25 residues, 2718.215 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pleurocidin: GWGSFFKKAAHVGKHVGKAA LTHYL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	142

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pleurocidin	1

Entities:

Entity 1, pleurocidin 25 residues - 2718.215 Da.

1

GLY

TRP

GLY

SER

PHE

LYS

ALA

2

HIS

VAL

GLY

LYS

HIS

VAL

GLY

LYS

ALA

3

LEU

THR

HIS

TYR

LEU

Samples:

sample_1: TRIS 5 mM; pleurocidin 1 mM; SDS, [U-2H], 100 mM; TSP 0.05%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 5 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

ARIA, Linge, O'Donoghue and Nilges - refinement, structure solution

ProcheckNMR, Laskowski and MacArthur - data analysis

AQUA, Rullmann, Doreleijers and Kaptein - data analysis

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 500 MHz

PDB	1Z64 2LS9
GB	AAF17252 AAF17253 AAG10397 AAK52842 AAK52846
SP	P81941 Q90ZY0
AlphaFold	P81941 Q90ZY0