BMRB Entry 16842

Name: 1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens
Published: 2011-05-23

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PDB ID: 2ldo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16842
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens

Deposition date:

2010-04-06

Original release date:

2011-05-23

Authors:

Morgado, Leonor; Paixao, Vitor; Bruix, Marta; Salgueiro, Carlos

Citation:

Citation: Morgado, Leonor; Paixao, Vitor; Salgueiro, Carlos; Bruix, Marta. "1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens" Biomol. NMR Assignments 5, 113-116 (2011).
PubMed: 21069484

Assembly members:

Assembly members:
PpcA_backbone, polymer, 71 residues, 7748.196 Da.
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: pCK32

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PpcA_backbone: ADDIVLKAKNGDVKFPHKAH QKAVPDCKKCHEKGPGKIEG FGKEMAHGKGCKGCHEEMKK GPTKCGECHKK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	73
1H chemical shifts	522

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PpcA_backbone	1
2	Heme I	2
3	Heme III	2
4	Heme IV	2

Entities:

Entity 1, PpcA_backbone 71 residues - 7748.196 Da.

1

ALA

ASP

ILE

VAL

LEU

LYS

ALA

LYS

ASN

2

GLY

ASP

VAL

LYS

PHE

PRO

HIS

LYS

ALA

HIS

3

GLN

LYS

ALA

VAL

PRO

ASP

CYS

LYS

CYS

4

HIS

GLU

LYS

GLY

PRO

GLY

LYS

ILE

GLU

GLY

5

PHE

GLY

LYS

GLU

MET

ALA

HIS

GLY

LYS

GLY

6

CYS

LYS

GLY

CYS

HIS

GLU

MET

LYS

7

GLY

PRO

THR

LYS

CYS

GLY

GLU

CYS

HIS

LYS

8

LYS

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

1

HEM

Samples:

PpcA_1H: entity_1 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

PpcA_15N: entity_1, [U-15N], 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

PpcA_D2O: entity_1 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; D2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	PpcA_15N	isotropic	sample_conditions_1
3D 1H-15N NOESY	PpcA_15N	isotropic	sample_conditions_1
3D 1H-15N TOCSY	PpcA_15N	isotropic	sample_conditions_1
2D 1H-1H COSY	PpcA_1H	isotropic	sample_conditions_1
2D 1H-1H TOCSY	PpcA_1H	isotropic	sample_conditions_1
2D 1H-1H NOESY	PpcA_1H	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

PARADYANA, Turner - structure solution calculation

Molmol, Koradi, Billeter and Wuthrich - rms and mean structure calculations, superimposition, visual inspection

ProcheckNMR, Laskowski and MacArthur - Identification and classification of the consensus secondary structure

NMR spectrometers:

Bruker Avance 800 MHz

BMRB	18787
PDB	1OS6 2LDO 2LZZ 3SEL 3SJ0 3SJ1 3SJ4 4HAJ 4HB6 4HB8 4HBF 4HC3 4HDL
GB	AAN40982 AAR33943 ADI83454 AJY70365
REF	NP_951670 WP_010941274