BMRB Entry 15075

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR15075

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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:

Merozoite surface protein 2 (MSP2) of Plasmodium falciparum: expression, structure and amyloid formation of the conserved N-terminal domain

Deposition date:

2006-12-12

Original release date:

2007-10-17

Authors:

Low, Andrew; Chandrashekaran, Indu; Adda, Christopher; Yao, Shenggan; Sabo, Jennifer; Zhang, Xuecheng; Soetopo, Alfreda; Anders, Robin; Norton, Raymond

Citation:

Citation: Low, Andrew; Chandrashekaran, Indu; Adda, Christopher; Yao, Shenggan; Sabo, Jennifer; Zhang, Xuecheng; Soetopo, Alfreda; Anders, Robin; Norton, Raymond. "Merozoite surface protein 2 of Plasmodium falciparum: expression, structure, dynamics, and fibril formation of the conserved N-terminal domain" Biopolymers 87, 12-22 (2007).
PubMed: 17516503

Assembly members:

Assembly members:
1-25MSP2, polymer, 28 residues, 3228 Da.

Natural source:

Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
1-25MSP2: GSMIKNESKYSNTFINNAYN MSIRRSMA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
15N chemical shifts	30
1H chemical shifts	166
coupling constants	11

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	1-25MSP2	1

Entities:

Entity 1, 1-25MSP2 28 residues - 3228 Da.

Residues -3 to -1 are from the cleavage site. Residues 1 to 25 are the N-terminal region of MSP2

1

GLY

SER

MET

ILE

LYS

ASN

GLU

SER

LYS

TYR

2

SER

ASN

THR

PHE

ILE

ASN

ALA

TYR

ASN

3

MET

SER

ILE

ARG

SER

MET

ALA

Samples:

sample_1: 1-25MSP2, [U-15N], 1.2 mM; D2O 5%; Acetic Acid 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 3.4; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - Data collection, Data processing

XEASY v1.3, Bartels et al. - Peak assignments

NMR spectrometers:

Bruker DRX 600 MHz

BMRB	15590 25202
PDB	2MU8
EMBL	CAA37829 CAA37830 CAA53701 CAA53946 CAA60699
GB	AAA19735 AAA19737 AAA19738 AAA19739 AAA19740
PIR	B45632 C39112
PRF	2023165A 2023165B
REF	XP_001349578
SP	P19260 P19599 P50496 P50497 P50498
AlphaFold	P19260 P19599 P50496 P50497 P50498