BMRB Entry 18684

Name: Identification of the Structural Traits Mediating the Antimicrobial Activity of a Chimeric Peptide of HBD2 and HBD3
Published: 2013-08-12

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PDB ID: 2lxo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18684
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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:

Identification of the Structural Traits Mediating the Antimicrobial Activity of a Chimeric Peptide of HBD2 and HBD3

Deposition date:

2012-08-30

Original release date:

2013-08-12

Authors:

Spudy, Bjorn; Soennichsen, Frank; Waetzig, Georg; Groetzinger, Joachim; Jung, Sascha

Citation:

Citation: Spudy, Bjorn; Soennichsen, Frank; Waetzig, Georg; Groetzinger, Joachim; Jung, Sascha. "Identification of structural traits that increase the antimicrobial activity of a chimeric peptide of human beta-defensins 2 and 3" Biochem. Biophys. Res. Commun. 427, 207-211 (2012).
PubMed: 22995312

Assembly members:

Assembly members:
entity, polymer, 44 residues, 4982.087 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GIINTLQKYYCRVRGAICHP VFCPRRYKQIGTCGLPGTKC CKKP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Chimeric Peptide of HBD2 and HBD3	1

Entities:

Entity 1, Chimeric Peptide of HBD2 and HBD3 44 residues - 4982.087 Da.

1

GLY

ILE

ASN

THR

LEU

GLN

LYS

TYR

2

CYS

ARG

VAL

ARG

GLY

ALA

ILE

CYS

HIS

PRO

3

VAL

PHE

CYS

PRO

ARG

TYR

LYS

GLN

ILE

4

GLY

THR

CYS

GLY

LEU

PRO

GLY

THR

LYS

CYS

5

CYS

LYS

PRO

Samples:

sample_1: HBD2_HBD3 0.15 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.02 M; pH: 4.6; pressure: 1 atm; temperature: 298 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

Software:

NMRView, Johnson, One Moon Scientific - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

NMR spectrometers:

Bruker Avance 600 MHz