BMRB Entry 34113

Name: Structure of PsDef1 defensin from Pinus sylvestris
Published: 2017-06-02

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PDB ID: 5nce
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34113
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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:

Structure of PsDef1 defensin from Pinus sylvestris

Deposition date:

2017-03-03

Original release date:

2017-06-02

Authors:

Khairutdinov, B.; Ermakova, E.; Bessolitsyna, E.; Toporkova, Y.; Tarasova, N.; Kovaleva, V.; Zuev, Y.; Nesmelova, I.

Citation:

Citation: Khairutdinov, Bulat; Ermakova, Elena; Yusypovych, Yuri; Bessolicina, Elena; Tarasova, Nadezhda; Toporkova, Yana; Kovaleva, Valentina; Zuev, Yuriy; Nesmelova, Irina. "NMR structure, conformational dynamics, and biological activity of PsDef1 defensin from Pinus sylvestris." Biochim. Biophys. Acta 1865, 1085-1094 (2017).
PubMed: 28528214

Assembly members:

Assembly members:
entity_1, polymer, 50 residues, 5611.574 Da.

Natural source:

Natural source: Common Name: Scots pine Taxonomy ID: 3349 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Pinus sylvestris

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET-32 Ek/LIC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RMCKTPSGKFKGYCVNNTNC KNVCRTEGFPTGSCDFHVAG RKCYCYKPCP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	200
15N chemical shifts	51
1H chemical shifts	322

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 50 residues - 5611.574 Da.

1	ARG	MET	CYS	LYS	THR	PRO	SER	GLY	LYS	PHE
2	LYS	GLY	TYR	CYS	VAL	ASN	ASN	THR	ASN	CYS
3	LYS	ASN	VAL	CYS	ARG	THR	GLU	GLY	PHE	PRO
4	THR	GLY	SER	CYS	ASP	PHE	HIS	VAL	ALA	GLY
5	ARG	LYS	CYS	TYR	CYS	TYR	LYS	PRO	CYS	PRO

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	anisotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	anisotropic	sample_conditions_1
2D 1H-13C TOCSY-HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 34113

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	ARG	MET	CYS	LYS	THR	PRO	SER	GLY	LYS	PHE
2	LYS	GLY	TYR	CYS	VAL	ASN	ASN	THR	ASN	CYS
3	LYS	ASN	VAL	CYS	ARG	THR	GLU	GLY	PHE	PRO
4	THR	GLY	SER	CYS	ASP	PHE	HIS	VAL	ALA	GLY
5	ARG	LYS	CYS	TYR	CYS	TYR	LYS	PRO	CYS	PRO

1	ARG	MET	CYS	LYS	THR	PRO	SER	GLY	LYS	PHE
2	LYS	GLY	TYR	CYS	VAL	ASN	ASN	THR	ASN	CYS
3	LYS	ASN	VAL	CYS	ARG	THR	GLU	GLY	PHE	PRO
4	THR	GLY	SER	CYS	ASP	PHE	HIS	VAL	ALA	GLY
5	ARG	LYS	CYS	TYR	CYS	TYR	LYS	PRO	CYS	PRO

1	ARG	MET	CYS	LYS	THR	PRO	SER	GLY	LYS	PHE
2	LYS	GLY	TYR	CYS	VAL	ASN	ASN	THR	ASN	CYS
3	LYS	ASN	VAL	CYS	ARG	THR	GLU	GLY	PHE	PRO
4	THR	GLY	SER	CYS	ASP	PHE	HIS	VAL	ALA	GLY
5	ARG	LYS	CYS	TYR	CYS	TYR	LYS	PRO	CYS	PRO