BMRB Entry 34639

Name: SOLUTION NMR STRUCTURE OF MAXIMIN 1 IN 50% TRIFLUOROETHANOL
Published: 2021-10-08

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PDB ID: 7ovz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34639
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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 1 IN 50% TRIFLUOROETHANOL

Deposition date:

2021-06-15

Original release date:

2021-10-08

Authors:

Timmons, P.; Hewage, C.

Citation:

Citation: Timmons, P.; Hewage, C.. "Biophysical study of the structure and dynamics of the antimicrobial peptide maximin 1" J. Pept. Sci. ., .-. (2021).
PubMed: 34569121

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 2679.161 Da.

Natural source:

Natural source: Common Name: Giant fire-bellied toad, Chinese red belly toad Taxonomy ID: 161274 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bombina maxima

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GIGTKILGGVKTALKGALKE LASTYAN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	187

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 27 residues - 2679.161 Da.

1

GLY

ILE

GLY

THR

LYS

ILE

LEU

GLY

VAL

2

LYS

THR

ALA

LEU

LYS

GLY

ALA

LEU

LYS

GLU

3

LEU

ALA

SER

THR

TYR

ALA

ASN

Samples:

sample_1: maximin 1 2.8 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1

Software:

NMRFAM-SPARKY, National Magnetic Resonance Facility at Madison - chemical shift assignment

CYANA, Peter Guntert - structure calculation

NAMD, NIH CENTER FOR MACROMOLECULAR MODELING & BIOINFORMATICS UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz