BMRB Entry 17792

Name: 3D solution structure of antimicrobial peptide aurelin
Published: 2012-08-30

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PDB ID: 2lg4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17792
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 3D solution structure of antimicrobial peptide aurelin PubMed: 23137541

Deposition date: 2011-07-20 Original release date: 2012-08-30

Authors: Shenkarev, Zakhar; Altukhov, Dmitry

Citation: Shenkarev, Zakhar; Panteleev, Pavel; Balandin, Sergey; Gizatullina, Albina; Altukhov, Dmitry; Finkina, Ekaterina; Kokryakov, Vladimir; Arseniev, Alexander; Ovchinnikova, Tatiana. "Recombinant expression and solution structure of antimicrobial peptide aurelin from jellyfish Aurelia aurita." Biochem. Biophys. Res. Commun. 429, 63-69 (2012).

Assembly members:
aurelin, polymer, 40 residues, 4313.036 Da.

Natural source: Common Name: jellyfish Taxonomy ID: 6145 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aurelia aurita

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
aurelin: AACSDRAHGHICESFKSFCK DSGRNGVKLRANCKKTCGLC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	107
15N chemical shifts	39
1H chemical shifts	255

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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1	ALA	ALA	CYS	SER	ASP	ARG	ALA	HIS	GLY	HIS
2	ILE	CYS	GLU	SER	PHE	LYS	SER	PHE	CYS	LYS
3	ASP	SER	GLY	ARG	ASN	GLY	VAL	LYS	LEU	ARG
4	ALA	ASN	CYS	LYS	LYS	THR	CYS	GLY	LEU	CYS

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 DQF-COSY	sample_3	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D HNHB	sample_2	isotropic	sample_conditions_1

PDB	2LG4
GB	ABI18349
SP	Q0MWV8

Biological Magnetic Resonance Data Bank

BMRB Entry 17792

Title: 3D solution structure of antimicrobial peptide aurelin PubMed: 23137541

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ALA	ALA	CYS	SER	ASP	ARG	ALA	HIS	GLY	HIS
2	ILE	CYS	GLU	SER	PHE	LYS	SER	PHE	CYS	LYS
3	ASP	SER	GLY	ARG	ASN	GLY	VAL	LYS	LEU	ARG
4	ALA	ASN	CYS	LYS	LYS	THR	CYS	GLY	LEU	CYS

1	ALA	ALA	CYS	SER	ASP	ARG	ALA	HIS	GLY	HIS
2	ILE	CYS	GLU	SER	PHE	LYS	SER	PHE	CYS	LYS
3	ASP	SER	GLY	ARG	ASN	GLY	VAL	LYS	LEU	ARG
4	ALA	ASN	CYS	LYS	LYS	THR	CYS	GLY	LEU	CYS

1	ALA	ALA	CYS	SER	ASP	ARG	ALA	HIS	GLY	HIS
2	ILE	CYS	GLU	SER	PHE	LYS	SER	PHE	CYS	LYS
3	ASP	SER	GLY	ARG	ASN	GLY	VAL	LYS	LEU	ARG
4	ALA	ASN	CYS	LYS	LYS	THR	CYS	GLY	LEU	CYS