BMRB Entry 19849

Name: Solution structure of reduced BolA2 from Arabidopsis thaliana
Published: 2014-07-21

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PDB ID: 2mm9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19849
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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:

Solution structure of reduced BolA2 from Arabidopsis thaliana

Deposition date:

2014-03-13

Original release date:

2014-07-21

Authors:

RORET, THOMAS; TSAN, PASCALE; COUTURIER, JEREMY; ROUHIER, NICOLAS; DIDIERJEAN, CLAUDE

Citation:

Citation: Roret, Thomas; Tsan, Pascale; Couturier, Jeremy; Zhang, Bo; Johnson, Michael; Rouhier, Nicolas; Didierjean, Claude. "Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes." J. Biol. Chem. 289, 24588-24598 (2014).
PubMed: 25012657

Assembly members:

Assembly members:
BolA2, polymer, 93 residues, 10389.931 Da.

Natural source:

Natural source: Common Name: Thale cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BolA2: MVTKEQVEASLTSKLKPIHL EVIDISGGCGSSFEVEVVSE QFEGKRLLERHRMVNAALEE EMKEIHALSIKKAQTPQQWK PPSQDSATLTKDA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	445
13C chemical shifts	244
15N chemical shifts	95

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	reduced BolA2 from Arabidopsis thaliana	1

Entities:

Entity 1, reduced BolA2 from Arabidopsis thaliana 93 residues - 10389.931 Da.

1

MET

VAL

THR

LYS

GLU

GLN

VAL

GLU

ALA

SER

2

LEU

THR

SER

LYS

LEU

LYS

PRO

ILE

HIS

LEU

3

GLU

VAL

ILE

ASP

ILE

SER

GLY

CYS

GLY

4

SER

PHE

GLU

VAL

GLU

VAL

SER

GLU

5

GLN

PHE

GLU

GLY

LYS

ARG

LEU

GLU

ARG

6

HIS

ARG

MET

VAL

ASN

ALA

LEU

GLU

7

GLU

MET

LYS

GLU

ILE

HIS

ALA

LEU

SER

ILE

8

LYS

ALA

GLN

THR

PRO

GLN

TRP

LYS

9

PRO

SER

GLN

ASP

SER

ALA

THR

LEU

THR

10

LYS

ASP

ALA

Samples:

sample_1: BolA2, [U-100% 13C; U-100% 15N], 0.9 mM; phosphate buffer 50 mM; azide 0.02%; H2O 90%; D2O 10%

sample_2: BolA2, [U-100% 15N], 0.9 mM; phosphate buffer 50 mM; azide 0.02%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HNHB	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-15N HSQC	sample_2	isotropic	sample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - chemical shift assignment, refinement, structure solution

CcpNmr, CCPN - data analysis, peak picking

NMRView, Johnson, One Moon Scientific - peak picking

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMR spectrometers:

Bruker DRX 600 MHz

PDB	2MM9 2MMA 4PUH
DBJ	BAB09404 BAF00125
GB	AAM65194 AAO24583 AED91453 EFH49685
REF	NP_568217 XP_002873426
SP	Q9FIC3
AlphaFold	Q9FIC3