BMRB Entry 17992

Name: WSA minor conformation
Published: 2012-01-09

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PDB ID: 2lkh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17992
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: WSA minor conformation PubMed: 22155685

Deposition date: 2011-10-11 Original release date: 2012-01-09

Authors: Xu, Yan; Mowrey, David; Cui, Tanxing; Perez-Aguilar, Jose; Saven, Jeffrey; Eckenhoff, Roderic; Tang, Pei

Citation: Cui, Tanxing; Mowrey, David; Bondarenko, Vasyl; Tillman, Tommy; Ma, Dejian; Landrum, Elizabeth; Perez-Aguilar, Jose Manuel; He, Jing; Wang, Wei; Saven, Jeffery; Eckenhoff, Roderic; Tang, Pei; Xu, Yan. "NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor." Biochim. Biophys. Acta 1818, 617-626 (2012).

Assembly members:
Nicotinic_Acetylcholine_Receptor, polymer, 140 residues, 15558.247 Da.

Natural source: Common Name: Marbled electric ray Taxonomy ID: 7788 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Torpedo marmorata

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

Entity Sequences (FASTA):
Nicotinic_Acetylcholine_Receptor: MAHHHHHHAMVIDHILKCVF DKICKIGTESVEAGRLIELS QEGGGGGGPLYFVVNVIEPC KKFSELTGLVFYLPTDSGEK MTESKSVLKSLTEKLKKIVE LIPSTSSAVPLIGKYMLFTK EFVESSIKITEEVINTHHRS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	334
15N chemical shifts	127
1H chemical shifts	845

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Nicotinic_Acetylcholine_Receptor	1

Entities:

Entity 1, Nicotinic_Acetylcholine_Receptor 140 residues - 15558.247 Da.

1	MET	ALA	HIS	HIS	HIS	HIS	HIS	HIS	ALA	MET
2	VAL	ILE	ASP	HIS	ILE	LEU	LYS	CYS	VAL	PHE
3	ASP	LYS	ILE	CYS	LYS	ILE	GLY	THR	GLU	SER
4	VAL	GLU	ALA	GLY	ARG	LEU	ILE	GLU	LEU	SER
5	GLN	GLU	GLY	GLY	GLY	GLY	GLY	GLY	PRO	LEU
6	TYR	PHE	VAL	VAL	ASN	VAL	ILE	GLU	PRO	CYS
7	LYS	LYS	PHE	SER	GLU	LEU	THR	GLY	LEU	VAL
8	PHE	TYR	LEU	PRO	THR	ASP	SER	GLY	GLU	LYS
9	MET	THR	GLU	SER	LYS	SER	VAL	LEU	LYS	SER
10	LEU	THR	GLU	LYS	LEU	LYS	LYS	ILE	VAL	GLU
11	LEU	ILE	PRO	SER	THR	SER	SER	ALA	VAL	PRO
12	LEU	ILE	GLY	LYS	TYR	MET	LEU	PHE	THR	LYS
13	GLU	PHE	VAL	GLU	SER	SER	ILE	LYS	ILE	THR
14	GLU	GLU	VAL	ILE	ASN	THR	HIS	HIS	ARG	SER

Samples:

sample_1: sodium phosphate 20 mM; LPPG 2%; D2O, [U-100% 2H], 10%; H2O, [U-100% 2H], 90%; Nicotinic_Acetylcholine_Receptor, [U-100% 2H], 0.6 mM; 2-Mercaptoethanol, [U-100% 2H], 10 mM

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - 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