BMRB Entry 19859

Name: Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito
Published: 2015-01-26

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PDB ID: 2mmm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19859
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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 structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito

Deposition date:

2014-03-16

Original release date:

2015-01-26

Authors:

Padilla, Andre; Misse, Dorothee

Citation:

Citation: Godreuil, Sylvain; Leban, Nadia; Padilla, Andre; Hamel, Rodolphe; Luplertlop, Natthanej; Chauffour, Aurelie; Vittecoq, Marion; Hoh, Francois; Thomas, Frederic; Sougakoff, Wladimir; Lionne, Corinne; Yssel, Hans; Misse, Dorothee. "Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains" Plos One 9, e105441-e105441 (2014).
PubMed: 25162372

Assembly members:

Assembly members:
cecropin_GK, polymer, 36 residues, 3686.604 Da.

Natural source:

Natural source: Common Name: yellow fever mosquito Taxonomy ID: 7159 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aedes aegypti

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cecropin_GK: GGLKKLGKKLEGAGKRVFKA SEKALPVVVGIKAIGK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	53
15N chemical shifts	27
1H chemical shifts	244

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GK cecropin-like peptide	1

Entities:

Entity 1, GK cecropin-like peptide 36 residues - 3686.604 Da.

Mature form of the immature, signal sequence-containing form MK

1

GLY

LEU

LYS

LEU

GLY

LYS

LEU

2

GLU

GLY

ALA

GLY

LYS

ARG

VAL

PHE

LYS

ALA

3

SER

GLU

LYS

ALA

LEU

PRO

VAL

GLY

4

ILE

LYS

ALA

ILE

GLY

LYS

Samples:

sample_1: cecropin GK 0.784 mM; Na phosphate 5.00 mM; K phosphate 0.88 mM; NaCl 68.50 mM; KCl 1.35 mM

sample_2: cecropin GK 0.784 mM; Na phosphate 5.00 mM; K phosphate 0.88 mM; NaCl 68.50 mM; KCl 1.35 mM

sample_conditions_1: ionic strength: 0.090 M; pH: 7.4; pressure: 1 atm; temperature: 283 K

sample_conditions_2: ionic strength: 0.090 M; pH: 7.4; pressure: 1 atm; temperature: 302 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
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 700 MHz

PDB	2MMM
GB	EAT48342
REF	XP_001649181