BMRB Entry 25939

Name: Solution structure of K2 lobe of double-knot toxin
Published: 2016-02-29

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PDB ID: 2naj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25939
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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:

Solution structure of K2 lobe of double-knot toxin

Deposition date:

2016-01-04

Original release date:

2016-02-29

Authors:

Bae, Chanhyung; Anselmi, Claudio; Kalia, Jeet; Jara-Oseguera, Andres; Schwieters, Charles; Krepkiy, Dmitriy; Lee, Chul Won; Kim, Eun-Hee; Kim, Jae Il; Faraldo-Gomez, Jose; Swartz, Kenton

Citation:

Citation: Bae, Chanhyung; Anselmi, Claudio; Kalia, Jeet; Jara-Oseguera, Andres; Schwieters, Charles; Krepkiy, Dmitriy; Lee, Chul Won; Kim, Eun-Hee; Kim, Jae Il; Faraldo-Gomez, Jose; Swartz, Kenton. "Structural insights into the mechanism of activation of the TRPV1 channel by a membrane-bound tarantula toxin" eLife 5, e11273-e11273 (2016).
PubMed: 26880553

Assembly members:

Assembly members:
K2, polymer, 33 residues, 3686.297 Da.

Natural source:

Natural source: Common Name: Chinese earth tiger Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Haplopelma schmidti

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
K2: NCAKEGEVCGWGSKCCHGLD CPLAFIPYCEKYR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	200

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 33 residues - 3686.297 Da.

1

ASN

CYS

ALA

LYS

GLU

GLY

GLU

VAL

CYS

GLY

2

TRP

GLY

SER

LYS

CYS

HIS

GLY

LEU

ASP

3

CYS

PRO

LEU

ALA

PHE

ILE

PRO

TYR

CYS

GLU

4

LYS

TYR

ARG

Samples:

sample_K2: K2 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_K2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_K2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_K2	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz