BMRB Entry 50855

Name: Heme chemical shifts assignment of the PpcEF6L from Geobacter sulfurreducens
Published: 2021-07-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50855

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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:

Heme chemical shifts assignment of the PpcEF6L from Geobacter sulfurreducens

Deposition date:

2021-03-26

Original release date:

2021-07-14

Authors:

Silva, Marta; Portela, Pilar; Salgueiro, Carlos

Citation:

Citation: Silva, Marta; Portela, Pilar; Salgueiro, Carlos. "Rational design of electron/proton transfer mechanisms in the exoelectrogenic bacteria Geobacter sulfurreducens" Biochem. J. 478, 2871-2887 (2021).
PubMed: 34190983

Assembly members:

Assembly members:
entity_1, polymer, 70 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: Geobacter sulfurreducens Taxonomy ID: 35554 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacter sulfurreducens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pVA203_PpcEF6L

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ADVILLPSKNGAVTFTHKRH SEFVRECRSCHEKTPGKIRN FGKDYAHKTCKGCHEVRGAG PTKCKLCHTG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	36

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PpcEF6L_Polypeptide	1
2	HEM 1	2
3	HEM 2	2
4	HEM 3	2

Entities:

Entity 1, PpcEF6L_Polypeptide 70 residues - Formula weight is not available

1	ALA	ASP	VAL	ILE	LEU	LEU	PRO	SER	LYS	ASN
2	GLY	ALA	VAL	THR	PHE	THR	HIS	LYS	ARG	HIS
3	SER	GLU	PHE	VAL	ARG	GLU	CYS	ARG	SER	CYS
4	HIS	GLU	LYS	THR	PRO	GLY	LYS	ILE	ARG	ASN
5	PHE	GLY	LYS	ASP	TYR	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	VAL	ARG	GLY	ALA	GLY
7	PRO	THR	LYS	CYS	LYS	LEU	CYS	HIS	THR	GLY

Entity 2, HEM 1 - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: Cytochrome PpcEF6L from Geobacter sulfurreducens 1 mM; sodium phosphate 80 mM; sodium chloride 250 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 250 mM; pH: 8.0; pressure: 1 atm; temperature: 289.2 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - processing

SPARKY - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

1	ALA	ASP	VAL	ILE	LEU	LEU	PRO	SER	LYS	ASN
2	GLY	ALA	VAL	THR	PHE	THR	HIS	LYS	ARG	HIS
3	SER	GLU	PHE	VAL	ARG	GLU	CYS	ARG	SER	CYS
4	HIS	GLU	LYS	THR	PRO	GLY	LYS	ILE	ARG	ASN
5	PHE	GLY	LYS	ASP	TYR	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	VAL	ARG	GLY	ALA	GLY
7	PRO	THR	LYS	CYS	LYS	LEU	CYS	HIS	THR	GLY

1	ALA	ASP	VAL	ILE	LEU	LEU	PRO	SER	LYS	ASN
2	GLY	ALA	VAL	THR	PHE	THR	HIS	LYS	ARG	HIS
3	SER	GLU	PHE	VAL	ARG	GLU	CYS	ARG	SER	CYS
4	HIS	GLU	LYS	THR	PRO	GLY	LYS	ILE	ARG	ASN
5	PHE	GLY	LYS	ASP	TYR	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	VAL	ARG	GLY	ALA	GLY
7	PRO	THR	LYS	CYS	LYS	LEU	CYS	HIS	THR	GLY

1	ALA	ASP	VAL	ILE	LEU	LEU	PRO	SER	LYS	ASN
2	GLY	ALA	VAL	THR	PHE	THR	HIS	LYS	ARG	HIS
3	SER	GLU	PHE	VAL	ARG	GLU	CYS	ARG	SER	CYS
4	HIS	GLU	LYS	THR	PRO	GLY	LYS	ILE	ARG	ASN
5	PHE	GLY	LYS	ASP	TYR	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	VAL	ARG	GLY	ALA	GLY
7	PRO	THR	LYS	CYS	LYS	LEU	CYS	HIS	THR	GLY