BMRB Entry 19850

Name: NMR-based docking model of GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana
Published: 2014-07-21

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PDB ID: 2mma
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19850
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:

NMR-based docking model of GrxS14-BolA2 apo-heterodimer 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:
GrxS14, polymer, 109 residues, 12196.089 Da.
BolA2, polymer, 80 residues, 9042.453 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GrxS14: SALTPQLKDTLEKLVNSEKV VLFMKGTRDFPMCGFSNTVV QILKNLNVPFEDVNILENEM LRQGLKEYSNWPTFPQLYIG GEFFGGCDITLEAFKTGELQ EEVEKAMCS
BolA2: VTKEQVEASLTSKLKPIHLE VIDISGGCGSSFEVEVVSEQ FEGKRLLERHRMVNAALEEE MKEIHALSIKKAQTPQQWKP

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	356
15N chemical shifts	356

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GrxS14	1
2	BolA2	2

Entities:

Entity 1, GrxS14 109 residues - 12196.089 Da.

1

SER

ALA

LEU

THR

PRO

GLN

LEU

LYS

ASP

THR

2

LEU

GLU

LYS

LEU

VAL

ASN

SER

GLU

LYS

VAL

3

VAL

LEU

PHE

MET

LYS

GLY

THR

ARG

ASP

PHE

4

PRO

MET

CYS

GLY

PHE

SER

ASN

THR

VAL

5

GLN

ILE

LEU

LYS

ASN

LEU

ASN

VAL

PRO

PHE

6

GLU

ASP

VAL

ASN

ILE

LEU

GLU

ASN

GLU

MET

7

LEU

ARG

GLN

GLY

LEU

LYS

GLU

TYR

SER

ASN

8

TRP

PRO

THR

PHE

PRO

GLN

LEU

TYR

ILE

GLY

9

GLY

GLU

PHE

GLY

CYS

ASP

ILE

THR

10

LEU

GLU

ALA

PHE

LYS

THR

GLY

GLU

LEU

GLN

11

GLU

VAL

GLU

LYS

ALA

MET

CYS

SER

Entity 2, BolA2 80 residues - 9042.453 Da.

1	VAL	THR	LYS	GLU	GLN	VAL	GLU	ALA	SER	LEU
2	THR	SER	LYS	LEU	LYS	PRO	ILE	HIS	LEU	GLU
3	VAL	ILE	ASP	ILE	SER	GLY	GLY	CYS	GLY	SER
4	SER	PHE	GLU	VAL	GLU	VAL	VAL	SER	GLU	GLN
5	PHE	GLU	GLY	LYS	ARG	LEU	LEU	GLU	ARG	HIS
6	ARG	MET	VAL	ASN	ALA	ALA	LEU	GLU	GLU	GLU
7	MET	LYS	GLU	ILE	HIS	ALA	LEU	SER	ILE	LYS
8	LYS	ALA	GLN	THR	PRO	GLN	GLN	TRP	LYS	PRO

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1

UNP	Q84Y95 Q9FIC3
PDB	2MMA 3IPZ 2MM9 2MMA
EMBL	CAB41094 CDX69884 CDY21608
GB	AAK60300 AAL77721 AAO19647 AEE79309 EFH54264 AAM65194 AAO24583 AED91453 EFH49685 KFK25275
REF	NP_191050 XP_002878005 XP_002883576 XP_002893837 NP_568217 XP_002873426 XP_009122117 XP_010491626
SP	Q84Y95
BMRB	19849
DBJ	BAB09404 BAF00125
AlphaFold	Q9SV38 Q84Y95 Q9FIC3

BMRB Entry 19850

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	VAL	THR	LYS	GLU	GLN	VAL	GLU	ALA	SER	LEU
2	THR	SER	LYS	LEU	LYS	PRO	ILE	HIS	LEU	GLU
3	VAL	ILE	ASP	ILE	SER	GLY	GLY	CYS	GLY	SER
4	SER	PHE	GLU	VAL	GLU	VAL	VAL	SER	GLU	GLN
5	PHE	GLU	GLY	LYS	ARG	LEU	LEU	GLU	ARG	HIS
6	ARG	MET	VAL	ASN	ALA	ALA	LEU	GLU	GLU	GLU
7	MET	LYS	GLU	ILE	HIS	ALA	LEU	SER	ILE	LYS
8	LYS	ALA	GLN	THR	PRO	GLN	GLN	TRP	LYS	PRO

1	VAL	THR	LYS	GLU	GLN	VAL	GLU	ALA	SER	LEU
2	THR	SER	LYS	LEU	LYS	PRO	ILE	HIS	LEU	GLU
3	VAL	ILE	ASP	ILE	SER	GLY	GLY	CYS	GLY	SER
4	SER	PHE	GLU	VAL	GLU	VAL	VAL	SER	GLU	GLN
5	PHE	GLU	GLY	LYS	ARG	LEU	LEU	GLU	ARG	HIS
6	ARG	MET	VAL	ASN	ALA	ALA	LEU	GLU	GLU	GLU
7	MET	LYS	GLU	ILE	HIS	ALA	LEU	SER	ILE	LYS
8	LYS	ALA	GLN	THR	PRO	GLN	GLN	TRP	LYS	PRO

1	VAL	THR	LYS	GLU	GLN	VAL	GLU	ALA	SER	LEU
2	THR	SER	LYS	LEU	LYS	PRO	ILE	HIS	LEU	GLU
3	VAL	ILE	ASP	ILE	SER	GLY	GLY	CYS	GLY	SER
4	SER	PHE	GLU	VAL	GLU	VAL	VAL	SER	GLU	GLN
5	PHE	GLU	GLY	LYS	ARG	LEU	LEU	GLU	ARG	HIS
6	ARG	MET	VAL	ASN	ALA	ALA	LEU	GLU	GLU	GLU
7	MET	LYS	GLU	ILE	HIS	ALA	LEU	SER	ILE	LYS
8	LYS	ALA	GLN	THR	PRO	GLN	GLN	TRP	LYS	PRO