BMRB Entry 27987

Name: Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state
Published: 2019-11-07

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27987

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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:

Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state

Deposition date:

2019-07-24

Original release date:

2019-11-07

Authors:

Portela, Pilar; Dantas, Joana; Salgueiro, Carlos

Citation:

Citation: Portela, Pilar; Dantas, Joana; Salgueiro, Carlos. "Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state" Biomol. NMR Assignments 14, 31-36 (2019).
PubMed: 31617060

Assembly members:

Assembly members:
PpcA_Polypeptide, polymer, 70 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: Geobacter metallireducens Taxonomy ID: 269799 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacter metallireducens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pCSGmet2902

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PpcA_Polypeptide: ADELTFKAKNGDVKFPHKKH QQVVGNCKKCHEKGPGKIEG FGKDWAHKTCKGCHEEMKKG PTKCGDCHKK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	263
15N chemical shifts	66
1H chemical shifts	465

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

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

Entities:

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

1	ALA	ASP	GLU	LEU	THR	PHE	LYS	ALA	LYS	ASN
2	GLY	ASP	VAL	LYS	PHE	PRO	HIS	LYS	LYS	HIS
3	GLN	GLN	VAL	VAL	GLY	ASN	CYS	LYS	LYS	CYS
4	HIS	GLU	LYS	GLY	PRO	GLY	LYS	ILE	GLU	GLY
5	PHE	GLY	LYS	ASP	TRP	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	GLU	MET	LYS	LYS	GLY
7	PRO	THR	LYS	CYS	GLY	ASP	CYS	HIS	LYS	LYS

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

1

HEM

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 27987

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	ALA	ASP	GLU	LEU	THR	PHE	LYS	ALA	LYS	ASN
2	GLY	ASP	VAL	LYS	PHE	PRO	HIS	LYS	LYS	HIS
3	GLN	GLN	VAL	VAL	GLY	ASN	CYS	LYS	LYS	CYS
4	HIS	GLU	LYS	GLY	PRO	GLY	LYS	ILE	GLU	GLY
5	PHE	GLY	LYS	ASP	TRP	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	GLU	MET	LYS	LYS	GLY
7	PRO	THR	LYS	CYS	GLY	ASP	CYS	HIS	LYS	LYS

1	ALA	ASP	GLU	LEU	THR	PHE	LYS	ALA	LYS	ASN
2	GLY	ASP	VAL	LYS	PHE	PRO	HIS	LYS	LYS	HIS
3	GLN	GLN	VAL	VAL	GLY	ASN	CYS	LYS	LYS	CYS
4	HIS	GLU	LYS	GLY	PRO	GLY	LYS	ILE	GLU	GLY
5	PHE	GLY	LYS	ASP	TRP	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	GLU	MET	LYS	LYS	GLY
7	PRO	THR	LYS	CYS	GLY	ASP	CYS	HIS	LYS	LYS

1	ALA	ASP	GLU	LEU	THR	PHE	LYS	ALA	LYS	ASN
2	GLY	ASP	VAL	LYS	PHE	PRO	HIS	LYS	LYS	HIS
3	GLN	GLN	VAL	VAL	GLY	ASN	CYS	LYS	LYS	CYS
4	HIS	GLU	LYS	GLY	PRO	GLY	LYS	ILE	GLU	GLY
5	PHE	GLY	LYS	ASP	TRP	ALA	HIS	LYS	THR	CYS
6	LYS	GLY	CYS	HIS	GLU	GLU	MET	LYS	LYS	GLY
7	PRO	THR	LYS	CYS	GLY	ASP	CYS	HIS	LYS	LYS