BMRB Entry 19700

Name: Spatial structure of P33A mutant of non-conventional toxin WTX from Naja kaouthia
Published: 2014-12-22

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PDB ID: 2mj0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19700
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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:

Spatial structure of P33A mutant of non-conventional toxin WTX from Naja kaouthia

Deposition date:

2013-12-23

Original release date:

2014-12-22

Authors:

Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina

Citation:

Citation: Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina. "Interaction of Weak Toxin from Naja kaouthia with Muscarinic Acetylcholine Receptors: Mutagenesis, NMR and Modeling Study" To be Published ., .-..

Assembly members:

Assembly members:
WTX[P33A], polymer, 66 residues, 7742.275 Da.

Natural source:

Natural source: Common Name: monocled cobra Taxonomy ID: 8649 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Naja kaouthia

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
WTX[P33A]: MLTCLNCPEMFCGKFQICRN GEKICFKKLHQRRALSWRYI RGCADTCPVGKPYEMIECCS TDKCNR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	74
1H chemical shifts	460

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	P33A mutant of non-conventional toxin WTX	1

Entities:

Entity 1, P33A mutant of non-conventional toxin WTX 66 residues - 7742.275 Da.

Met residue at the N-terminus is non-native and were added due to bacterial expression.

1

MET

LEU

THR

CYS

LEU

ASN

CYS

PRO

GLU

MET

2

PHE

CYS

GLY

LYS

PHE

GLN

ILE

CYS

ARG

ASN

3

GLY

GLU

LYS

ILE

CYS

PHE

LYS

LEU

HIS

4

GLN

ARG

ALA

LEU

SER

TRP

ARG

TYR

ILE

5

ARG

GLY

CYS

ALA

ASP

THR

CYS

PRO

VAL

GLY

6

LYS

PRO

TYR

GLU

MET

ILE

GLU

CYS

SER

7

THR

ASP

LYS

CYS

ASN

ARG

Samples:

sample_1: WTX[P33A], [U-99% 15N], 0.5 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_2: WTX[P33A], [U-99% 15N], 0.5 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 0.01 M; pH: 3.0; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
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
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 700 MHz

UNP	P25679
SP	P82935
AlphaFold	P25679 P82935