BMRB Entry 4229

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PDB ID: 1bqx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4229
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:

Artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin

Deposition date:

1998-08-20

Original release date:

2000-05-01

Authors:

Aono, S.; Bentrop, D.; Bertini, I.; Cosenza, G.; Luchinat, C.

Citation:

Citation: Aono, S.; Bentrop, D.; Bertini, I.; Cosenza, G.; Luchinat, C.. "Solution structure of an artficial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin"" Eur. J. Biochem. 258, 502-514 (1998).

Assembly members:

Assembly members:
ferredoxin, polymer, 77 residues, Formula weight is not available
IRON/SULFUR CLUSTER, non-polymer, 351.640 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 1484 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus schlegelii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pKKFd D13C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ferredoxin: AYVITEPCIGTKCASCVEVC PVDCIHEGEDQYYIDPDVCI DCGACEAVCPVSAIYHEDFV PEEWKSYIQKNRDFFKK

Data sets:

assigned_chemical_shifts
- chemical_shift_assignment_one
- chemical_shift_assignment_two

Data type	Count
1H chemical shifts	586

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fe8S8 Fd	1
2	FeS4, cluster 1	2
3	FeS4, cluster 2	2

Entities:

Entity 1, Fe8S8 Fd 77 residues - Formula weight is not available

1

ALA

TYR

VAL

ILE

THR

GLU

PRO

CYS

ILE

GLY

2

THR

LYS

CYS

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, FeS4, cluster 1 - Fe4 S4 - 351.640 Da.

1

SF4

Samples:

sample_1: ferredoxin2 – 3.3 mM

sample_cond_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 300 K

sample_cond_2: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 282 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	not available
DQF-COSY	sample_1	not available	not available
TOCSY	sample_1	not available	not available
1D-NOE	sample_1	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz