BMRB Entry 18093

Name: NMR structures of the transmembrane domains of the nAChR a4 subunit
Published: 2012-03-02

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PDB ID: 2lly
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18093
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structures of the transmembrane domains of the nAChR a4 subunit PubMed: 22361591

Deposition date: 2011-11-18 Original release date: 2012-03-02

Authors: Bondarenko, Vasyl; Mowrey, David; Tillman, Tommy; Cui, Tanxing; Liu, Lu; Xu, Yan; Tang, Pei

Citation: Bondarenko, Vasyl; Mowrey, David; Tillman, Tommy; Cui, Tanxing; Liu, Lu Tian; Xu, Yan; Tang, Pei. "NMR structures of the transmembrane domains of the 42 nAChR." Biochim. Biophys. Acta 1818, 1261-1268 (2012).

Assembly members:
transmembrane domains of the a4b2 nAChR, polymer, 137 residues, 14748.773 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
transmembrane domains of the a4b2 nAChR: SNAEELPLFYTINLIIPCLL ISCLTVLVFYLPSECGEKIT LCISVLLSLTVFLLLITEII PSTSSVSPSIGEYLLFTMIF VTLSIVITVFVLNVHHRSPE THTGGGGGIDRIFLWMFIIV CLLGTVGLFLPPWLAGE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	567
15N chemical shifts	127
1H chemical shifts	869

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	transmembrane domains of the a4b2 nAChR	1

Entities:

Entity 1, transmembrane domains of the a4b2 nAChR 137 residues - 14748.773 Da.

1

SER

ASN

ALA

GLU

LEU

PRO

LEU

PHE

TYR

2

THR

ILE

ASN

LEU

ILE

PRO

CYS

LEU

3

ILE

SER

CYS

LEU

THR

VAL

LEU

VAL

PHE

TYR

4

LEU

PRO

SER

GLU

CYS

GLY

GLU

LYS

ILE

THR

5

LEU

CYS

ILE

SER

VAL

LEU

SER

LEU

THR

6

VAL

PHE

LEU

ILE

THR

GLU

ILE

7

PRO

SER

THR

SER

VAL

SER

PRO

SER

ILE

8

GLY

GLU

TYR

LEU

PHE

THR

MET

ILE

PHE

9

VAL

THR

LEU

SER

ILE

VAL

ILE

THR

VAL

PHE

10

VAL

LEU

ASN

VAL

HIS

ARG

SER

PRO

GLU

11

THR

HIS

THR

GLY

ILE

ASP

12

ARG

ILE

PHE

LEU

TRP

MET

PHE

ILE

VAL

13

CYS

LEU

GLY

THR

VAL

GLY

LEU

PHE

LEU

14

PRO

TRP

LEU

ALA

GLY

GLU

Samples:

sample_1: a4b2_nAchR, [U-100% 13C; U-100% 15N], 0.25 mM; sodium acetate 5 mM; LDAO 1.5%; sodium chloride 10 mM; D2O, [U-100% 2H], 5%; DSS 0.1 mM; sodium chloride 10 mM; beta-mercaptoethanol 20 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 4.65; pressure: 1 atm; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	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:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz
Bruker Avance 900 MHz

Biological Magnetic Resonance Data Bank