BMRB Entry 25455

Name: Backbone, side chain and heme resonance assignments of cytochrome OmcF from Geobacter sulfurreducens
Published: 2016-11-02

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR25455

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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 assignments of cytochrome OmcF from Geobacter sulfurreducens

Deposition date:

2015-01-27

Original release date:

2016-11-02

Authors:

Dantas, Joana; Silva e Sousa, Marta; Salgueiro, Carlos; Bruix, Marta

Citation:

Citation: Dantas, Joana; Silva e Sousa, Marta; Salgueiro, Carlos; Bruix, Marta. "Backbone, side chain and heme resonance assignments of cytochrome OmcF from Geobacter sulfurreducens" Biomol. NMR Assign. 9, 365-368 (2015).
PubMed: 25939275

Assembly members:

Assembly members:
OmcF_Polypeptide, polymer, 85 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, 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: pLBM4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
OmcF_Polypeptide: SGGSGAGGGELFATHCAGCH PQGGNTVHPEKTLARARREA NGIRTVRDVAAYIRNPGPGM PAFGEAMIPPADALKIGEYV VASFP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	235
15N chemical shifts	86
1H chemical shifts	557

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	OmcF	1
2	HEM	2

Entities:

Entity 1, OmcF 85 residues - Formula weight is not available

1

SER

GLY

SER

GLY

ALA

GLY

GLU

2

LEU

PHE

ALA

THR

HIS

CYS

ALA

GLY

CYS

HIS

3

PRO

GLN

GLY

ASN

THR

VAL

HIS

PRO

GLU

4

LYS

THR

LEU

ALA

ARG

ALA

ARG

GLU

ALA

5

ASN

GLY

ILE

ARG

THR

VAL

ARG

ASP

VAL

ALA

6

ALA

TYR

ILE

ARG

ASN

PRO

GLY

PRO

GLY

MET

7

PRO

ALA

PHE

GLY

GLU

ALA

MET

ILE

PRO

8

ALA

ASP

ALA

LEU

LYS

ILE

GLY

GLU

TYR

VAL

9

VAL

ALA

SER

PHE

PRO

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

1

HEM

Samples:

sample_1: OmcF_Polypeptide, [U-100% 13C; U-100% 15N], 2 mM; PROTOPORPHYRIN IX CONTAINING FE 2 mM; H2O 90%; D2O, U-2H, 10%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_2: OmcF_Polypeptide 2 mM; PROTOPORPHYRIN IX CONTAINING FE 2 mM; H2O 90%; D2O, U-2H, 10%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 5; pressure: 1 atm; temperature: 308 K

sample_conditions_2: ionic strength: 100 mM; pH: 5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

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