BMRB Entry 16060

Name: Loop 3 of Short Neurotoxin II is an Additional Interaction Site with Membrane-Bound Nicotinic Acetylcholine Receptor as Detected by Solid-State NMR Spectroscopy
Published: 2009-05-20

Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16060

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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:

Loop 3 of Short Neurotoxin II is an Additional Interaction Site with Membrane-Bound Nicotinic Acetylcholine Receptor as Detected by Solid-State NMR Spectroscopy

Deposition date:

2008-12-16

Original release date:

2009-05-20

Authors:

van Rossum, Barth-Jan; Oschkinat, Hartmut

Citation:

Citation: Krabben, Ludwig; van Rossum, Barth-Jan; Jehle, Stefan; Bocharov, Eduard; Lyukmanova, Ekaterina; Schulga, Alexey; Arseniev, Alexander; Hucho, Ferdinand; Oschkinat, Hartmut. "Loop 3 of Short Neurotoxin II is an Additional Interaction Site with Membrane-Bound Nicotinic Acetylcholine Receptor as Detected by Solid-State NMR Spectroscopy" J. Mol. Biol. 390, 662-671 (2009).
PubMed: 19447114

Assembly members:

Assembly members:
NT_II, polymer, 61 residues, Formula weight is not available
nAChR, polymer, . residues, Formula weight is not available

Natural source:

Natural source: Common Name: Central Asian cobra Taxonomy ID: 8657 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Naja oxiana

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NT_II: LECHNQQSSQPPTTKTCSGE TNCYKKWWSDHRGTIIERGC GCPKVKPGVNLNCCRTDRCN N
nAChR: X

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	272
15N chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	neurotoxin II	1
2	nicotinic Acetylcholin receptor	2

Entities:

Entity 1, neurotoxin II 61 residues - Formula weight is not available

1

LEU

GLU

CYS

HIS

ASN

GLN

SER

GLN

2

PRO

THR

LYS

THR

CYS

SER

GLY

GLU

3

THR

ASN

CYS

TYR

LYS

TRP

SER

ASP

4

HIS

ARG

GLY

THR

ILE

GLU

ARG

GLY

CYS

5

GLY

CYS

PRO

LYS

VAL

LYS

PRO

GLY

VAL

ASN

6

LEU

ASN

CYS

ARG

THR

ASP

ARG

CYS

ASN

7

ASN

Entity 2, nicotinic Acetylcholin receptor - Formula weight is not available

1

X

Samples:

neurotoxin: NT II, [U-100% 13C; U-100% 15N],

13neurotoxin: NT II, [1,3-13C]-Glycerol; [U-15N],

2neurotoxin: NT II, [2-13C]-Glycerol; [U-15N],

nAChR_sample: nAChR

NTII-nAChR_complex: temperature: 265 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D PDSD	neurotoxin	solid	NTII-nAChR_complex
2D PDSD	13neurotoxin	solid	NTII-nAChR_complex
2D PDSD	2neurotoxin	solid	NTII-nAChR_complex
2D TEDOR	13neurotoxin	solid	NTII-nAChR_complex
2D TEDOR	2neurotoxin	solid	NTII-nAChR_complex

Software:

SPARKY v3.1, Goddard - chemical shift assignment

xwinnmr v2.6, Bruker Biospin - collection

TOPSPIN v1.3, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 400 MHz
Bruker Avance 600 MHz

BMRB	19704
PDB	1JE9 1NOR 2MJ4
SP	P01427 P59276
AlphaFold	P01427 P59276