BMRB Entry 19658

Name: The solution NMR structure of maximin-4 in SDS micelles
Published: 2013-12-23

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PDB ID: 2mhw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19658
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The solution NMR structure of maximin-4 in SDS micelles

Deposition date:

2013-12-05

Original release date:

2013-12-23

Authors:

Toke, Orsolya; Banoczi, Zoltan; Kiraly, Peter; Heinzmann, Ralf; Burck, Jochen; Ulrich, Anne; Hudecz, Ferenc

Citation:

Citation: Toke, Orsolya; Banoczi, Zoltan; Kiraly, Peter; Heinzmann, Ralf; Burck, Jochen; Ulrich, Anne; Hudecz, Ferenc. "A kinked antimicrobial peptide fromBombina maxima. I. Three-dimensional structure determined by NMR in membrane-mimicking environments" Eur. Biophys. J. 40, 447-462 (2011).
PubMed: 21234559

Assembly members:

Assembly members:
maximin-4, polymer, 27 residues, 2617.163 Da.

Natural source:

Natural source: Common Name: large-webbed bell toad Taxonomy ID: 161274 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bombina maxima

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
maximin-4: GIGGVLLSAGKAALKGLAKV LAEKYAN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	188

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	maximin-4	1

Entities:

Entity 1, maximin-4 27 residues - 2617.163 Da.

1

GLY

ILE

GLY

VAL

LEU

SER

ALA

GLY

2

LYS

ALA

LEU

LYS

GLY

LEU

ALA

LYS

VAL

3

LEU

ALA

GLU

LYS

TYR

ALA

ASN

Samples:

maximin-4-SDS: maximin-41 – 1.2 mM; sodium-phosphate 10 mM; d25-sodium-dodecyl-sulfate, [U-100% 2H], 200 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 220 mM; pH: 5.0; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	maximin-4-SDS	isotropic	sample_conditions_1
2D 1H-1H NOESY	maximin-4-SDS	isotropic	sample_conditions_1
2D 1H-15N HSQC	maximin-4-SDS	isotropic	sample_conditions_1
2D 1H-13C HSQC	maximin-4-SDS	isotropic	sample_conditions_1

Software:

VNMRJ, Varian - collection

FELIX, Accelrys - peak picking, processing

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

NMR spectrometers:

Varian Varian NMR System 600 MHz