BMRB Entry 34322

Name: SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL
Published: 2019-03-14

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PDB ID: 6hz2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34322
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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:

SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL

Deposition date:

2018-10-22

Original release date:

2019-03-14

Authors:

Benetti, Silvia; Timmons, Patrick; Hewage, Chandralal

Citation:

Citation: Benetti, S.; Timmons, P.; Hewage, C.. "NMR model structure of the antimicrobial peptide maximin 3." Eur.Biophys.J. 48, 203-212 (2019).
PubMed: 30734844

Assembly members:

Assembly members:
Maximins 3/H11 type 2, polymer, 27 residues, 2703.207 Da.

Natural source:

Natural source: Common Name: Giant fire-bellied toad Taxonomy ID: 161274 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bombina not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Maximins 3/H11 type 2: GIGGKILSGLKTALKGAAKE LASTYLH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	44
1H chemical shifts	190

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 27 residues - 2703.207 Da.

1

GLY

ILE

GLY

LYS

ILE

LEU

SER

GLY

LEU

2

LYS

THR

ALA

LEU

LYS

GLY

ALA

LYS

GLU

3

LEU

ALA

SER

THR

TYR

LEU

HIS

Samples:

sample_1: Maximin 3 0.19 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D	sample_1	isotropic	sample_conditions_1
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_1

Software:

TOPSPIN v2.1, Bruker Biospin - processing

NMRFAM-SPARKY, NATIONAL MAGNETIC RESONANCE FACILITY AT MADISON - chemical shift assignment, peak picking

CYANA v2, Guntert, Mumenthaler and Wuthrich - structure calculation

NAMD, UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN - refinement

NMR spectrometers:

Bruker Avance 600 600.13 MHz