BMRB Entry 4268

Name: 7-Fe Ferredoxin from Bacillus Schlegelii
Published: 1999-10-14

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PDB ID: 1bd6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4268
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:

7-Fe Ferredoxin from Bacillus Schlegelii

Deposition date:

1998-11-18

Original release date:

1999-10-14

Authors:

Aono, S.; Bentrop, D.; Bertini, I.; Donaire, A.; Luchinat, C.; Niikura, Y.; Rosato, A.

Citation:

Citation: Aono, S.; Bentrop, D.; Bertini, I.; Donaire, A.; Luchinat, C.; Niikura, Y.; Rosato, A.. "Solution Structure of the Oxidized Fe7S8 Ferredoxin from the Thermophilic Bacterium Bacillus Schlegelii by 1H NMR Spectroscopy" Biochemistry 37, 9812-9826 (1998).

Assembly members:

Assembly members:
7-Fe Ferredoxin, polymer, 77 residues, Formula weight is not available
FE3-S4 CLUSTER, non-polymer, 295.795 Da.
IRON/SULFUR CLUSTER, non-polymer, 351.640 Da.

Natural source:

Natural source: Common Name: B. schlegelli Taxonomy ID: not available Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus schlegelii bacilli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pKKFd54

Entity Sequences (FASTA):

Entity Sequences (FASTA):
7-Fe Ferredoxin: AYVITEPCIGTKDASCVEVC PVDCIHEGEDQYYIDPDVCI DCGACEAVCPVSAIYHEDFV PEEWKSYIQKNRDFFKK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
1H chemical shifts	407

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fd peptide	1
2	FS3	2
3	FS4	3

Entities:

Entity 1, Fd peptide 77 residues - Formula weight is not available

1

ALA

TYR

VAL

ILE

THR

GLU

PRO

CYS

ILE

GLY

2

THR

LYS

ASP

ALA

SER

CYS

VAL

GLU

VAL

CYS

3

PRO

VAL

ASP

CYS

ILE

HIS

GLU

GLY

GLU

ASP

4

GLN

TYR

ILE

ASP

PRO

ASP

VAL

CYS

ILE

5

ASP

CYS

GLY

ALA

CYS

GLU

ALA

VAL

CYS

PRO

6

VAL

SER

ALA

ILE

TYR

HIS

GLU

ASP

PHE

VAL

7

PRO

GLU

TRP

LYS

SER

TYR

ILE

GLN

LYS

8

ASN

ARG

ASP

PHE

LYS

Entity 2, FS3 - Fe3 S4 - 295.795 Da.

1

F3S

Entity 3, FS4 - Fe4 S4 - 351.640 Da.

1

SF4

Samples:

sample_one: 7-Fe Ferredoxin2 – 3.5 mM

sample_conditions: ionic strength: 0.020 M; pH: 6.5 na; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_one	not available	sample_conditions
TOCSY	sample_one	not available	sample_conditions
DQF-COSY	sample_one	not available	sample_conditions
1D-NOE	sample_one	not available	sample_conditions

Software:

No software information available

NMR spectrometers:

Bruker AMX 600 MHz
Bruker DRX 500 MHz
Bruker DRX 600 MHz