BMRB Entry 34349

Name: [41-82]Gga-AvBD11
Published: 2019-12-13

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PDB ID: 6qet
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34349
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:

[41-82]Gga-AvBD11

Deposition date:

2019-01-08

Original release date:

2019-12-13

Authors:

Meudal, H.; Loth, K.; Delmas, A.; Landon, C.

Citation:

Citation: Guyot, N.; Meudal, H.; Trapp, S.; Iochmann, S.; Silvestre, A.; Jousset, G.; Labas, V.; Reverdiau, P.; Loth, K.; Herve, V.; Aucagne, V.; Delmas, A.; Rehault-Godbert, S.; Landon, C.. "Structure, function, and evolution of Gga-AvBD11, the archetype of a structural avian-double-beta-defensin family" Proc. Natl. Acad. Sci. U.S.A. 117, 337-345 (2020).
PubMed: 31871151

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4788.552 Da.

Natural source:

Natural source: Common Name: Chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DTTSDFHTCQDKGGHCVSPK IRCLEEQLGLCPLKRWTCCK EI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	139
15N chemical shifts	39
1H chemical shifts	287

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 42 residues - 4788.552 Da.

1

ASP

THR

SER

ASP

PHE

HIS

THR

CYS

GLN

2

ASP

LYS

GLY

HIS

CYS

VAL

SER

PRO

LYS

3

ILE

ARG

CYS

LEU

GLU

GLN

LEU

GLY

LEU

4

CYS

PRO

LEU

LYS

ARG

TRP

THR

CYS

LYS

5

GLU

ILE

Samples:

sample_1: [41-82]Gga-AvBD11 1.4 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	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:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III HD 700 MHz

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