BMRB Entry 25108

Name: Backbone Chemical Shift Assignment for the pfPP1 phosphatase regulator pfI2 of Plasmodium falciparum
Published: 2014-08-26

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25108

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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:

Backbone Chemical Shift Assignment for the pfPP1 phosphatase regulator pfI2 of Plasmodium falciparum

Deposition date:

2014-07-24

Original release date:

2014-08-26

Authors:

Landrieu, Isabelle; Cantrelle, Francois-Xavier; Freville, Aline; Khalife, Jamal

Citation:

Citation: Freville, Aline; Tellier, Geraldine; Vandomme, Audrey; Pierrot, Christine; Vicogne, Jerome; Cantrelle, Fran ois-Xavier; Martoriati, Alain; Cailliau-Maggio, Katia; Khalife, Jamal; Landrieu, Isabelle. "Identification of a Plasmodium falciparum inhibitor-2 motif involved in binding and regulation activity of the Protein Phosphatase type 1" FEBS J. ., .-..

Assembly members:

Assembly members:
PfI2, polymer, 155 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: pQE30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PfI2: RGSHHHHHHGSMKKKVDKSV TKKTISWDEVTINEQDKERG SRMKILEPNTPFNFILMDSA SEDEASKYGDVKGSDEGQNN IADDLINKLNQLVEKQENKG VSNIDFKEKRKKHYNEYKML QKLRKSGTLDDIDEEYKPDN KDSNCDNSNMNESEE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	95
13C chemical shifts	300
15N chemical shifts	93

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PfI2	1

Entities:

Entity 1, PfI2 155 residues - Formula weight is not available

1

ARG

GLY

SER

HIS

GLY

2

SER

MET

LYS

VAL

ASP

LYS

SER

VAL

3

THR

LYS

THR

ILE

SER

TRP

ASP

GLU

VAL

4

THR

ILE

ASN

GLU

GLN

ASP

LYS

GLU

ARG

GLY

5

SER

ARG

MET

LYS

ILE

LEU

GLU

PRO

ASN

THR

6

PRO

PHE

ASN

PHE

ILE

LEU

MET

ASP

SER

ALA

7

SER

GLU

ASP

GLU

ALA

SER

LYS

TYR

GLY

ASP

8

VAL

LYS

GLY

SER

ASP

GLU

GLY

GLN

ASN

9

ILE

ALA

ASP

LEU

ILE

ASN

LYS

LEU

ASN

10

GLN

LEU

VAL

GLU

LYS

GLN

GLU

ASN

LYS

GLY

11

VAL

SER

ASN

ILE

ASP

PHE

LYS

GLU

LYS

ARG

12

LYS

HIS

TYR

ASN

GLU

TYR

LYS

MET

LEU

13

GLN

LYS

LEU

ARG

LYS

SER

GLY

THR

LEU

ASP

14

ASP

ILE

ASP

GLU

TYR

LYS

PRO

ASP

ASN

15

LYS

ASP

SER

ASN

CYS

ASP

ASN

SER

ASN

MET

16

ASN

GLU

SER

GLU

Samples:

sample_1: PfI2, [U-98% 15N], 0.05 – 0.1 mM; sodium phosphate 100 mM; sodium chloride 100 mM; EDTA 2.5 mM; DTT 10 mM; TSP 0.1 mM; D2O 5%; H2O 95%

sample_2: PfI2, [U-98% 13C; U-98% 15N], 0.05 – 0.2 mM; sodium phosphate 100 mM; sodium chloride 100 mM; EDTA 2.5 mM; DTT 10 mM; TSP 0.1 mM; D2O 5%; H2O 95%

sample_conditions_1: temperature: 298 K; pH: 6.7; pressure: 1 atm; ionic strength: 100 mM

Experiments:

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

Software:

SPARKY, Goddard - peak picking

TOPSPIN v2.1, Bruker Biospin - processing

Mars, Jung YS & Zweckstetter M - chemical shift assignment

NMR spectrometers:

Bruker DMX 600 MHz

plasmodb	PF3D7_0320000
EMBL	CAX64439 CDO62624
GB	ETW20523 ETW38648 ETW45017 ETW51416 ETW52113
REF	XP_002808630 XP_012761271