BMRB Entry 18096

Name: NMR structures of the transmembrane domains of the AChR b2 subunit
Published: 2013-03-02

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PDB ID: 2lm2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18096
MolProbity Validation Chart

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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 AChR b2 subunit PubMed: 22361591

Deposition date: 2011-11-18 Original release date: 2013-03-02

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:
entity, polymer, 137 residues, 14998.831 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 Vector: pTBSG1

Entity Sequences (FASTA):
entity: SNAEEEPLFYTINLIIPCVL ITSLAILVFYLPSDCGEKMT LCISVLLALTVFLLLISKIV PPTSSDSPSVGEYLMFTMVL VTFSIVTSVCVLNVHHRSPE THTGGGGGIDRLFLWIFVFV CVFGTIGMFLQPLFQEE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	552
15N chemical shifts	127
1H chemical shifts	820

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nAChR	1

Entities:

Entity 1, nAChR 137 residues - 14998.831 Da.

1

SER

ASN

ALA

GLU

PRO

LEU

PHE

TYR

2

THR

ILE

ASN

LEU

ILE

PRO

CYS

VAL

LEU

3

ILE

THR

SER

LEU

ALA

ILE

LEU

VAL

PHE

TYR

4

LEU

PRO

SER

ASP

CYS

GLY

GLU

LYS

MET

THR

5

LEU

CYS

ILE

SER

VAL

LEU

ALA

LEU

THR

6

VAL

PHE

LEU

ILE

SER

LYS

ILE

VAL

7

PRO

THR

SER

ASP

SER

PRO

SER

VAL

8

GLY

GLU

TYR

LEU

MET

PHE

THR

MET

VAL

LEU

9

VAL

THR

PHE

SER

ILE

VAL

THR

SER

VAL

CYS

10

VAL

LEU

ASN

VAL

HIS

ARG

SER

PRO

GLU

11

THR

HIS

THR

GLY

ILE

ASP

12

ARG

LEU

PHE

LEU

TRP

ILE

PHE

VAL

PHE

VAL

13

CYS

VAL

PHE

GLY

THR

ILE

GLY

MET

PHE

LEU

14

GLN

PRO

LEU

PHE

GLN

GLU

Samples:

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

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-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 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