BMRB Entry 16024

Name: NMR structrure of gallium subsituted ferredoxin
Published: 2010-07-27

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PDB ID: 2kaj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16024
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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:

NMR structrure of gallium subsituted ferredoxin

Deposition date:

2008-11-06

Original release date:

2010-07-27

Authors:

Xu, Xingfu; Ubbink, Marcellus; Knaff, David

Citation:

Citation: Xu, Xingfu; Scanu, Sandra; Chung, Jung-Sung; Hirasawa, Masakazu; Knaff, David; Ubbink, Marcellus. "Structural and functional characterization of the ga-substituted ferredoxin from Synechocystis sp. PCC6803, a mimic of the native protein." Biochemistry 49, 7790-7797 (2010).
PubMed: 20690702

Assembly members:

Assembly members:
Ferredoxin, polymer, 96 residues, 10237.103 Da.
GA, non-polymer, 69.723 Da.

Natural source:

Natural source: Common Name: Synechocystis sp. PCC 6803 Taxonomy ID: 1148 Superkingdom: Bacteria Kingdom: not available Genus/species: Synechocystis Synechocystis sp. PCC 6803

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRSET5A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ferredoxin: ASYTVKLITPDGESSIECSD DTYILDAAEEAGLDLPYSCR AGACSTCAGKITAGSVDQSD QSFLDDDQIEAGYVLTCVAY PTSDCTIETHKEEDLY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	96
1H chemical shifts	598

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ferredoxin	1
2	GALLIUM (III) ION	2

Entities:

Entity 1, Ferredoxin 96 residues - 10237.103 Da.

1

ALA

SER

TYR

THR

VAL

LYS

LEU

ILE

THR

PRO

2

ASP

GLY

GLU

SER

ILE

GLU

CYS

SER

ASP

3

ASP

THR

TYR

ILE

LEU

ASP

ALA

GLU

4

ALA

GLY

LEU

ASP

LEU

PRO

TYR

SER

CYS

ARG

5

ALA

GLY

ALA

CYS

SER

THR

CYS

ALA

GLY

LYS

6

ILE

THR

ALA

GLY

SER

VAL

ASP

GLN

SER

ASP

7

GLN

SER

PHE

LEU

ASP

GLN

ILE

GLU

8

ALA

GLY

TYR

VAL

LEU

THR

CYS

VAL

ALA

TYR

9

PRO

THR

SER

ASP

CYS

THR

ILE

GLU

THR

HIS

10

LYS

GLU

ASP

LEU

TYR

Entity 2, GALLIUM (III) ION - Ga - 69.723 Da.

1

GA

Samples:

sample_1: GaFd, [U-99% 15N], 1 mM; sodium phosphate 50 mM

sample-2: GaFd 2 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample-2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample-2	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AZARA, Boucher - processing

ANSIG, Kraulis - data analysis

NMR spectrometers:

Bruker DMX 600 MHz
Bruker DMX 900 MHz

PDB	1DOX 1DOY 1OFF 2KAJ 2PVG 2PVO 5AUK
DBJ	BAA10197 BAA24020 BAK50980 BAL29978 BAL33147
GB	AAB22616 AAB72025 AGF52490 AIE72625 ALJ68421
PRF	0812212A
REF	WP_010873424 WP_028946897
SP	P00243 P27320
AlphaFold	P00243 P27320