BMRB Entry 52793

Name: Low pH backbone and sidechain assignments of S64V EmrE in lipid bilayers
Published: 2025-03-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52793

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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:

Low pH backbone and sidechain assignments of S64V EmrE in lipid bilayers

Deposition date:

2025-01-06

Original release date:

2025-03-06

Authors:

Harding, Benjamin; Wang, Songlin; Rienstra, Chad

Citation:

Citation: Harding, Benjamin; Hiett, Ashley; Tonelli, Marco; Wang, Songlin; Rientra, Chad; Henzler-Wildman, Katherine. "Backbone and Sidechain 1H, 15N and 13C Resonance Assignments of a Multidrug Efflux Membrane Protein using Solution and Solid-State NMR" Biomol. NMR Assignments ., .-. (2025).
PubMed: 39829842

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWVGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	1559
15N chemical shifts	229

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	S64V-EmrE, Chain A	1
2	S64V-EmrE, Chain B	1

Entities:

Entity 1, S64V-EmrE, Chain A 110 residues - Formula weight is not available

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

Name	Sample	Sample state	Sample conditions
2D DARR	sample_1	isotropic	sample_conditions_4
3D NCACX	sample_1	isotropic	sample_conditions_4
3D NCOCX	sample_1	isotropic	sample_conditions_4
3D CANCO	sample_1	isotropic	sample_conditions_4
3D CCC	sample_1	isotropic	sample_conditions_4
2D DARR	sample_1	isotropic	sample_conditions_1
3D NCACO	sample_1	isotropic	sample_conditions_1
3D CANCO	sample_1	isotropic	sample_conditions_1
2D NCA	sample_1	isotropic	sample_conditions_1
2D NCO	sample_1	isotropic	sample_conditions_1
3D NCOCA	sample_1	isotropic	sample_conditions_1
2D DARR	sample_2	isotropic	sample_conditions_3
3D NCOCX	sample_2	isotropic	sample_conditions_3
3D CCC	sample_2	isotropic	sample_conditions_2
2D DARR	sample_2	isotropic	sample_conditions_2

BMRB Entry 52793

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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