BMRB Entry 26054

Name: NMR structure of omega-agatoxin IVA in DPC micelles
Published: 2017-08-25

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PDB ID: 2ndb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26054
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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:

NMR structure of omega-agatoxin IVA in DPC micelles

Deposition date:

2016-05-12

Original release date:

2017-08-25

Authors:

Ryu, Jae Ha; Kim, Jae Il

Citation:

Citation: Ryu, Jae Ha; Jung, Hoi Jong; Konishi, Shiro; Kim, Ha Hyung; Park, Zee-Yong; Kim, Jae Il. "Structure-activity relationships of omega-Agatoxin IVA in lipid membranes" Biochem. Biophys. Res. Commun. 482, 170-175 (2017).
PubMed: 27838299

Assembly members:

Assembly members:
entity, polymer, 49 residues, 5277.445 Da.

Natural source:

Natural source: Common Name: spiders Taxonomy ID: 6908 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Agelenopsis aperta

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET31b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GKKKCIAKDYGRCKWGGTPC CRGRGCICSIMGTNCECKPR LIMEGLGLA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	48
1H chemical shifts	298

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 49 residues - 5277.445 Da.

1

GLY

LYS

CYS

ILE

ALA

LYS

ASP

TYR

2

GLY

ARG

CYS

LYS

TRP

GLY

THR

PRO

CYS

3

CYS

ARG

GLY

ARG

GLY

CYS

ILE

CYS

SER

ILE

4

MET

GLY

THR

ASN

CYS

GLU

CYS

LYS

PRO

ARG

5

LEU

ILE

MET

GLU

GLY

LEU

GLY

LEU

ALA

Samples:

sample_1: entity mM; DPC, [U-100% 2H], 50 mM

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	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
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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