BMRB Entry 18705

Name: Solution Structure of the Antimicrobial Peptide Human Defensin 5
Published: 2012-11-27

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PDB ID: 2lxz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18705
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of the Antimicrobial Peptide Human Defensin 5

Deposition date:

2012-09-10

Original release date:

2012-11-27

Authors:

Wommack, Andrew; Robson, Scott; Wanniarahchi, Yoshitha; Wan, Andrea; Turner, Christopher; Nolan, Elizabeth

Citation:

Citation: Wommack, Andrew; Robson, Scott; Wanniarachchi, Yoshitha; Wan, Andrea; Turner, Christopher; Wagner, Gerhard; Nolan, Elizabeth. "NMR solution structure and condition-dependent oligomerization of the antimicrobial peptide human defensin 5." Biochemistry 51, 9624-9637 (2012).
PubMed: 23163963

Assembly members:

Assembly members:
entity, polymer, 32 residues, 3594.227 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ201-TEV-HD5

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ATCYCRTGRCATRESLSGVC EISGRLYRLCCR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	192
15N chemical shifts	54
1H chemical shifts	364

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Antimicrobial Peptide Human Defensin 5	1

Entities:

Entity 1, Antimicrobial Peptide Human Defensin 5 32 residues - 3594.227 Da.

1

ALA

THR

CYS

TYR

CYS

ARG

THR

GLY

ARG

CYS

2

ALA

THR

ARG

GLU

SER

LEU

SER

GLY

VAL

CYS

3

GLU

ILE

SER

GLY

ARG

LEU

TYR

ARG

LEU

CYS

4

CYS

ARG

Samples:

sample_1: TFA0 – 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.4 mM; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	19693
PDB	1ZMP 2LXZ 2MIT
EMBL	CCD28566
GB	AAA35754 AAH69690 AAI07080 AAT68886 ADQ32910
REF	NP_066290
SP	Q01523
AlphaFold	Q01523