BMRB Entry 30520

Name: A consensus human beta defensin
Published: 2019-08-23

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PDB ID: 6mjv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30520
MolProbity Validation Chart

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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:

A consensus human beta defensin

Deposition date:

2018-09-22

Original release date:

2019-08-23

Authors:

Amero, C.; Villegas-Moreno, J.; Rodriguez, A.

Citation:

Citation: Rodriguez, A.; Pedersen, M.; Villegas, E.; Rivas-Santiago, B.; Villegas-Moreno, J.; Amero, C.; Norton, R.; Corzo, G.. "Antimicrobial Activity and Structure of a Consensus Human beta-Defensin and Its Comparison to a Novel Putative hBD10" Proteins 88, 175-186 (2020).
PubMed: 31325337

Assembly members:

Assembly members:
entity_1, polymer, 32 residues, 3743.524 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KKCWNGGRCRKKCKENEKPI GYCRNGKKCCVN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	94
15N chemical shifts	33
1H chemical shifts	206

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 32 residues - 3743.524 Da.

1

LYS

CYS

TRP

ASN

GLY

ARG

CYS

ARG

2

LYS

CYS

LYS

GLU

ASN

GLU

LYS

PRO

ILE

3

GLY

TYR

CYS

ARG

ASN

GLY

LYS

CYS

4

VAL

ASN

Samples:

sample_1: peptide 1.3 mg/mL

sample_conditions_1: ionic strength: 0 Not defined; pH: 5.6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	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
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

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

CARA, Keller and Wuthrich - data analysis

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

NMR spectrometers:

Bruker AvanceIII 600 MHz
Bruker Avance 800 MHz

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