BMRB Entry 34064

Name: Solution structure and dynamics of the first outer membrane cytochrome from Geobacter sulfurreducens
Published: 2017-04-06

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PDB ID: 5mcs
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34064
MolProbity Validation Chart

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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:

Solution structure and dynamics of the first outer membrane cytochrome from Geobacter sulfurreducens

Deposition date:

2016-11-10

Original release date:

2017-04-06

Authors:

Dantas, J.; Silva, M.; Morgado, L.; Pantoja-Uceda, D.; Turner, D.; Bruix, M.; Salgueiro, C.

Citation:

Citation: Dantas, Joana; Silva, Marta; Pantoja-Uceda, David; Turner, David; Bruix, Marta; Salgueiro, Carlos. "Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens." Biochim. Biophys. Acta 1858, 733-741 (2017).
PubMed: 28377068

Assembly members:

Assembly members:
entity_1, polymer, 80 residues, 8324.456 Da.
entity_HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: Geobacter sulfurreducens Taxonomy ID: 243231 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacter sulfurreducens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli DH5[alpha]

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AGGGELFATHCAGCHPQGGN TVHPEKTLARARREANGIRT VRDVAAYIRNPGPGMPAFGE AMIPPADALKIGEYVVASFP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
15N chemical shifts	73
1H chemical shifts	519

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	HEME C	2

Entities:

Entity 1, entity_1 80 residues - 8324.456 Da.

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

Entity 2, HEME C - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	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 HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_3
2D 1H-1H COSY	sample_3	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_3

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

BMRB Entry 34064

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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