BMRB Entry 16147

Name: NMR assignments of oxidised thioredoxin from Plasmodium falciparum
Published: 2009-05-13

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PDB ID: 2mmo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16147
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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 assignments of oxidised thioredoxin from Plasmodium falciparum

Deposition date:

2009-01-29

Original release date:

2009-05-13

Authors:

Munte, Claudia; Katja, Becker; Rolf, Schirmer; Hans, Kalbitzer

Citation:

Citation: Munte, Claudia Elisabeth; Becker, Katja; Schirmer, Rolf Heiner; Kalbitzer, Hans Robert. "NMR assignments of oxidised thioredoxin from Plasmodium falciparum." Biomol. NMR Assignments 3, 159-161 (2009).
PubMed: 19888680

Assembly members:

Assembly members:
Trx, polymer, 115 residues, Formula weight is not available

Natural source:

Natural source: Common Name: malaria parasite P. falciparum Taxonomy ID: 5833 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium falciparum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE-30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Trx: MRGSHHHHHHGSVKIVTSQS EFDSIISQNELVIVDFFAEW CGPCKRIAPFYEECSKTYTK MVFIKVDVDEVSEVTEKENI TSMPTFKVYKNGSSVDTLLG ANDSALKQLIEKYAA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	423
15N chemical shifts	101
1H chemical shifts	757

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Trx	1

Entities:

Entity 1, Trx 115 residues - Formula weight is not available

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

VAL

LYS

ILE

VAL

THR

SER

GLN

SER

3

GLU

PHE

ASP

SER

ILE

SER

GLN

ASN

GLU

4

LEU

VAL

ILE

VAL

ASP

PHE

ALA

GLU

TRP

5

CYS

GLY

PRO

CYS

LYS

ARG

ILE

ALA

PRO

PHE

6

TYR

GLU

CYS

SER

LYS

THR

TYR

THR

LYS

7

MET

VAL

PHE

ILE

LYS

VAL

ASP

VAL

ASP

GLU

8

VAL

SER

GLU

VAL

THR

GLU

LYS

GLU

ASN

ILE

9

THR

SER

MET

PRO

THR

PHE

LYS

VAL

TYR

LYS

10

ASN

GLY

SER

VAL

ASP

THR

LEU

GLY

11

ALA

ASN

ASP

SER

ALA

LEU

LYS

GLN

LEU

ILE

12

GLU

LYS

TYR

ALA

Samples:

sample_1: Trx, [U-100% 13C; U-100% 15N], 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM

sample_2: Trx, [U-100% 13C; U-100% 15N], 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM; D2O 8%

sample_3: Trx 1 mM; potassium phosphate 10 mM; DSS 0.1 mM; sodium azide 1 mM; D2O 8%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - processing

AUREMOL, Bruker Biospin - chemical shift assignment

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 800 MHz

PDB	1SYR 2MMN 2MMO 4J56 4J57
EMBL	CAB90828 CDO67036
GB	AAF34541 AAN37158 ETW15871 ETW28975 ETW33689
REF	XP_001348719 XP_012765615
SP	Q7KQL8
AlphaFold	Q7KQL8