BMRB Entry 17914

Name: Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes
Published: 2012-01-17

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PDB ID: 2lj2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17914
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes

Deposition date:

2011-09-03

Original release date:

2012-01-17

Authors:

Das, Bibhuti; Nothnagel, Henry; Lu, George; Son, Woo Sung; Park, Sang Ho; Tian, Ye; Marassi, Francesca; Opella, Stanley

Citation:

Citation: Das, Bibhuti; Nothnagel, Henry; Lu, George; Son, Woo Sung; Tian, Ye; Marassi, Francesca; Opella, Stanley. "Structure determination of a membrane protein in proteoliposomes." J. Am. Chem. Soc. 134, 2047-2056 (2012).
PubMed: 22217388

Assembly members:

Assembly members:
MerFt, polymer, 60 residues, 6281.516 Da.
ANI, non-polymer, 161.124 Da.

Natural source:

Natural source: Common Name: Morganella morganii Taxonomy ID: 582 Superkingdom: Bacteria Kingdom: not available Genus/species: Morganella morganii

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MerFt: IGTTLVALSSFTPVLVILLG VVGLSALTGYLDYVLLPALA IFIGLTIYAIQRKRQADASS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	110
15N chemical shifts	55

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MerFt	1
2	ANI	2

Entities:

Entity 1, MerFt 60 residues - 6281.516 Da.

1	ILE	GLY	THR	THR	LEU	VAL	ALA	LEU	SER	SER
2	PHE	THR	PRO	VAL	LEU	VAL	ILE	LEU	LEU	GLY
3	VAL	VAL	GLY	LEU	SER	ALA	LEU	THR	GLY	TYR
4	LEU	ASP	TYR	VAL	LEU	LEU	PRO	ALA	LEU	ALA
5	ILE	PHE	ILE	GLY	LEU	THR	ILE	TYR	ALA	ILE
6	GLN	ARG	LYS	ARG	GLN	ALA	ASP	ALA	SER	SER

Entity 2, ANI - C7 H6 F3 N - 161.124 Da.

1

ANI

Samples:

sample_1: MerFt, [U-100% 13C; U-100% 15N], 3.6 mg; H2O 100.0%

sample_conditions_1: ionic strength: 10 mM; pH: 6.1; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
see publication	sample_1	anisotropic	sample_conditions_1

Software:

SPARKY, Goddard - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

Bruker Avance 750 MHz

1	ILE	GLY	THR	THR	LEU	VAL	ALA	LEU	SER	SER
2	PHE	THR	PRO	VAL	LEU	VAL	ILE	LEU	LEU	GLY
3	VAL	VAL	GLY	LEU	SER	ALA	LEU	THR	GLY	TYR
4	LEU	ASP	TYR	VAL	LEU	LEU	PRO	ALA	LEU	ALA
5	ILE	PHE	ILE	GLY	LEU	THR	ILE	TYR	ALA	ILE
6	GLN	ARG	LYS	ARG	GLN	ALA	ASP	ALA	SER	SER

1	ILE	GLY	THR	THR	LEU	VAL	ALA	LEU	SER	SER
2	PHE	THR	PRO	VAL	LEU	VAL	ILE	LEU	LEU	GLY
3	VAL	VAL	GLY	LEU	SER	ALA	LEU	THR	GLY	TYR
4	LEU	ASP	TYR	VAL	LEU	LEU	PRO	ALA	LEU	ALA
5	ILE	PHE	ILE	GLY	LEU	THR	ILE	TYR	ALA	ILE
6	GLN	ARG	LYS	ARG	GLN	ALA	ASP	ALA	SER	SER