BMRB Entry 18039

Name: Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4
Published: 2012-03-09

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PDB ID: 4a5v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18039
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:

Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4

Deposition date:

2011-11-01

Original release date:

2012-03-09

Authors:

Marchant, J.; Cowper, B.; Liu, Y.; Lai, L.; Pinzan, C.; Marq, J.; Friedrich, N.; Sawmynaden, K.; Chai, W.; Childs, R.; Saouros, S.; Simpson, P.; Barreira, M.; Feizi, T.; Soldati-favre, D.; Matthews, Stephen

Citation:

Citation: Marchant, Jan; Cowper, Ben; Liu, Yan; Lai, Livia; Pinzan, Camila; Marq, Jean Baptiste; Friedrich, Nikolas; Sawmynaden, Kovilen; Liew, Lloyd; Chai, Wengang; Childs, Robert; Saouros, Savvas; Simpson, Peter; Roque Barreira, Maria Cristina; Feizi, Ten; Soldati-Favre, Dominique; Matthews, Stephen. "Galactose recognition by the apicomplexan parasite Toxoplasma gondii." J. Biol. Chem. 287, 16720-16733 (2012).
PubMed: 22399295

Assembly members:

Assembly members:
MICRONEMAL_PROTEIN_4, polymer, 161 residues, 17154.4701 Da.

Natural source:

Natural source: Common Name: Toxoplasma gondii Taxonomy ID: 5811 Superkingdom: Eukaryota Kingdom: not available Genus/species: Toxoplasma gondii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32 Xa/LIC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MICRONEMAL_PROTEIN_4: SSEPAKLDLSCVHSDNKGSR APTIGEPVPDVSLEQCAAQC KAVDGCTHFTYNDDSKMCHV KEGKPDLYDLTGGKTASRSC DRSCFEQHVSYEGAPDVMTA MVTSQSADCQAACAADPSCE IFTYNEHDQKCTFKGRGFSA FKERGVLGVTSGPKQFCDEG G

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
1H chemical shifts	970
13C chemical shifts	641
15N chemical shifts	161

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MICRONEMAL PROTEIN 4	1

Entities:

Entity 1, MICRONEMAL PROTEIN 4 161 residues - 17154.4701 Da.

1

SER

GLU

PRO

ALA

LYS

LEU

ASP

LEU

SER

2

CYS

VAL

HIS

SER

ASP

ASN

LYS

GLY

SER

ARG

3

ALA

PRO

THR

ILE

GLY

GLU

PRO

VAL

PRO

ASP

4

VAL

SER

LEU

GLU

GLN

CYS

ALA

GLN

CYS

5

LYS

ALA

VAL

ASP

GLY

CYS

THR

HIS

PHE

THR

6

TYR

ASN

ASP

SER

LYS

MET

CYS

HIS

VAL

7

LYS

GLU

GLY

LYS

PRO

ASP

LEU

TYR

ASP

LEU

8

THR

GLY

LYS

THR

ALA

SER

ARG

SER

CYS

9

ASP

ARG

SER

CYS

PHE

GLU

GLN

HIS

VAL

SER

10

TYR

GLU

GLY

ALA

PRO

ASP

VAL

MET

THR

ALA

11

MET

VAL

THR

SER

GLN

SER

ALA

ASP

CYS

GLN

12

ALA

CYS

ALA

ASP

PRO

SER

CYS

GLU

13

ILE

PHE

THR

TYR

ASN

GLU

HIS

ASP

GLN

LYS

14

CYS

THR

PHE

LYS

GLY

ARG

GLY

PHE

SER

ALA

15

PHE

LYS

GLU

ARG

GLY

VAL

LEU

GLY

VAL

THR

16

SER

GLY

PRO

LYS

GLN

PHE

CYS

ASP

GLU

GLY

17

GLY

Samples:

sample_1: MICRONEMAL PROTEIN 4, [U-13C; U-15N], 0.3 mM

sample_2: MICRONEMAL PROTEIN 4, [U-13C; U-15N], 0.3 mM

sample_conditions_1: ionic strength: 100.000 mM; pH: 6.500; pressure: 1.000 atm; temperature: 303.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
CBCA(CO)NH	sample_1	solution	sample_conditions_1
HNCACB	sample_1	solution	sample_conditions_1
HNCO	sample_1	solution	sample_conditions_1
HN(CA)CO	sample_1	solution	sample_conditions_1
(H)CC(CO)NH-TOCSY	sample_1	solution	sample_conditions_1
H(C)CH-TOCSY	sample_1	solution	sample_conditions_1
(H)CCH-TOCSY	sample_1	solution	sample_conditions_1
C-NOESY-HSQC	sample_1	solution	sample_conditions_1
N-NOESY-HSQC	sample_1	solution	sample_conditions_1
C-NOESY-HSQC	sample_2	solution	sample_conditions_1

Software:

ARIA vany, Linge, O'Donoghue and Nilges - chemical shift assignment

CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN - chemical shift assignment

NMRView vany, Johnson, One Moon Scientific - chemical shift assignment

TALOS vany, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker DRX 500.20 MHz
Varian UnityInova 800.23 MHz

UNP	MIC4_TOXGO
BMRB	15694
PDB	4A5V
AlphaFold	Q9XZH7