BMRB Entry 18303

Name: 1H, 13C, and 15N Chemical Shift Assignments for PfPMT, a Phosphoethanolamine Methyltransferase from Plasmodium falciparum
Published: 2012-03-29

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18303

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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:

1H, 13C, and 15N Chemical Shift Assignments for PfPMT, a Phosphoethanolamine Methyltransferase from Plasmodium falciparum

Deposition date:

2012-02-29

Original release date:

2012-03-29

Authors:

Bezsonova, Irina; Rujan, Iulian; Maciejewski, Mark; Gorbatyuk, Oksana; Hao, Bing; Arthanari, Hari; Bobenchik, April; Ben Mamoun, Choukri; Hoch, Jeffrey

Citation:

Citation: Bezsonova, Irina; Rujan, Iulian; Bobenchik, April; Gorbatyuk, Vitaliy; Maciejewski, Mark; Gorbatyuk, Oksana; Hao, Bing; Arthanari, Haribabu; Mamoun, Choukri Ben; Hoch, Jeffrey. "(1)H, (13)C, and (15)N chemical shift assignments for PfPMT, a phosphoethanolamine methyltransferase from Plasmodium falciparum." Biomol. NMR Assignments 7, 17-20 (2013).
PubMed: 22392340

Assembly members:

Assembly members:
PfPMT, polymer, 266 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PfPMT: MTLIENLNSDKTFLENNQYT DEGVKVYEFIFGENYISSGG LEATKKILSDIELNENSKVL DIGSGLGGGCMYINEKYGAH THGIDICSNIVNMANERVSG NNKIIFEANDILTKEFPENN FDLIYSRDAILHLSLENKNK LFQKCYKWLKPTGTLLITDY CATEKENWDDEFKEYVKQRK YTLITVEEYADILTACNFKN VVSKDLSDYWNQLLEVEHKY LHENKEEFLKLFSEKKFISL DDGWSRKIKDSKRKMQRWGY FKATKN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	893
15N chemical shifts	253
1H chemical shifts	1353

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PfPMT	1

Entities:

Entity 1, PfPMT 266 residues - Formula weight is not available

1

MET

THR

LEU

ILE

GLU

ASN

LEU

ASN

SER

ASP

2

LYS

THR

PHE

LEU

GLU

ASN

GLN

TYR

THR

3

ASP

GLU

GLY

VAL

LYS

VAL

TYR

GLU

PHE

ILE

4

PHE

GLY

GLU

ASN

TYR

ILE

SER

GLY

5

LEU

GLU

ALA

THR

LYS

ILE

LEU

SER

ASP

6

ILE

GLU

LEU

ASN

GLU

ASN

SER

LYS

VAL

LEU

7

ASP

ILE

GLY

SER

GLY

LEU

GLY

CYS

8

MET

TYR

ILE

ASN

GLU

LYS

TYR

GLY

ALA

HIS

9

THR

HIS

GLY

ILE

ASP

ILE

CYS

SER

ASN

ILE

10

VAL

ASN

MET

ALA

ASN

GLU

ARG

VAL

SER

GLY

11

ASN

LYS

ILE

PHE

GLU

ALA

ASN

ASP

12

ILE

LEU

THR

LYS

GLU

PHE

PRO

GLU

ASN

13

PHE

ASP

LEU

ILE

TYR

SER

ARG

ASP

ALA

ILE

14

LEU

HIS

LEU

SER

LEU

GLU

ASN

LYS

ASN

LYS

15

LEU

PHE

GLN

LYS

CYS

TYR

LYS

TRP

LEU

LYS

16

PRO

THR

GLY

THR

LEU

ILE

THR

ASP

TYR

17

CYS

ALA

THR

GLU

LYS

GLU

ASN

TRP

ASP

18

GLU

PHE

LYS

GLU

TYR

VAL

LYS

GLN

ARG

LYS

19

TYR

THR

LEU

ILE

THR

VAL

GLU

TYR

ALA

20

ASP

ILE

LEU

THR

ALA

CYS

ASN

PHE

LYS

ASN

21

VAL

SER

LYS

ASP

LEU

SER

ASP

TYR

TRP

22

ASN

GLN

LEU

GLU

VAL

GLU

HIS

LYS

TYR

23

LEU

HIS

GLU

ASN

LYS

GLU

PHE

LEU

LYS

24

LEU

PHE

SER

GLU

LYS

PHE

ILE

SER

LEU

25

ASP

GLY

TRP

SER

ARG

LYS

ILE

LYS

ASP

26

SER

LYS

ARG

LYS

MET

GLN

ARG

TRP

GLY

TYR

27

PHE

LYS

ALA

THR

LYS

ASN

Samples:

sample_1: PfPMT, [U-100% 13C; U-100% 15N], 0.5 mM; HEPES 50 mM; sodium chloride 50 mM; DTT 5 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.9; pressure: 1 atm; temperature: 293 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
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
H(C)CH TOCSY	sample_1	isotropic	sample_conditions_1
(H)CCH TOCSY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks