BMRB Entry 5279

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PDB ID: 1kwj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5279
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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:

A Quick Solution Structure Determination of the Fully Oxidized Double Mutant K9-10A Cytochrome c7 from Desulfuromonas acetoxidans and Mechanistic Implications

Deposition date:

2002-02-06

Original release date:

2002-04-01

Authors:

Assfalg, M.; Bertini, I.; Turano, P.; Bruschi, M.; Durand, M.; Giudici-Orticoni, M.; Dolla, A.

Citation:

Citation: Assfalg, M.; Bertini, I.; Turano, P.; Bruschi, M.; Durand, M.; Giudici-Orticoni, M.; Dolla, A.. "A Quick Solution Structure Determination of the Fully Oxidized Double Mutant K9-10A Cytochrome c7 from Desulfuromonas acetoxidans and Mechanistic Implications " J. Biomol. NMR 22, 107-122 (2002).

Assembly members:

Assembly members:
cytochrome c7, polymer, 68 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 891 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfuromonas acetoxidans

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytochrome c7: ADVVTYENAAGNVTFDHKAH AEKLGCDACHEGTPAKIAID KKSAHKDACKTCHKSNNGPT KCGGCHIK

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	450

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cytochrome c7	1
2	heme c, 1	2
3	heme c, 2	2
4	heme c, 3	2

Entities:

Entity 1, cytochrome c7 68 residues - Formula weight is not available

1

ALA

ASP

VAL

THR

TYR

GLU

ASN

ALA

2

GLY

ASN

VAL

THR

PHE

ASP

HIS

LYS

ALA

HIS

3

ALA

GLU

LYS

LEU

GLY

CYS

ASP

ALA

CYS

HIS

4

GLU

GLY

THR

PRO

ALA

LYS

ILE

ALA

ILE

ASP

5

LYS

SER

ALA

HIS

LYS

ASP

ALA

CYS

LYS

6

THR

CYS

HIS

LYS

SER

ASN

GLY

PRO

THR

7

LYS

CYS

GLY

CYS

HIS

ILE

LYS

Entity 2, heme c, 1 - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

Samples:

sample_1: cytochrome c7 2 mM; oxidized heme c 6 mM; sodium phosphate buffer 100 mM; D2O 10%; H2O 90%

sample_cond_1: pH: 6.5; temperature: 298 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	not available	sample_cond_1

Software:

PSEUDYANA v1.5 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

Bruker AVANCE 800 MHz