BMRB Entry 17667

Name: 1H, 13C &amp; 13N chemical shift assignments for Toxoplasma gondii Microneme protein 4 (MIC4) residues 410-491 (apple domain 5)
Published: 2011-06-24

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PDB ID: 2ll4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17667
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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 & 13N chemical shift assignments for Toxoplasma gondii Microneme protein 4 (MIC4) residues 410-491 (apple domain 5)

Deposition date:

2011-05-25

Original release date:

2011-06-24

Authors:

Matthews, Steve; Pete, Simpson; Jan, Marchant

Citation:

Citation: Cowper, Ben. "TgMIC4-apple5 assignments" .

Assembly members:

Assembly members:
TgMIC4-apple5, polymer, 82 residues, Formula weight is not available

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: pET-32 Xa/LIC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TgMIC4-apple5: SPDFHDEVECVHTGNIGSKA QTIGEVKRASSLSECRARCQ AEKECSHYTYNVKSGLCYPK RGKPQFYKYLGDMTGSRTCD TS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	315
15N chemical shifts	73
1H chemical shifts	452

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TgMIC4-apple5	1

Entities:

Entity 1, TgMIC4-apple5 82 residues - Formula weight is not available

1

SER

PRO

ASP

PHE

HIS

ASP

GLU

VAL

GLU

CYS

2

VAL

HIS

THR

GLY

ASN

ILE

GLY

SER

LYS

ALA

3

GLN

THR

ILE

GLY

GLU

VAL

LYS

ARG

ALA

SER

4

SER

LEU

SER

GLU

CYS

ARG

ALA

ARG

CYS

GLN

5

ALA

GLU

LYS

GLU

CYS

SER

HIS

TYR

THR

TYR

6

ASN

VAL

LYS

SER

GLY

LEU

CYS

TYR

PRO

LYS

7

ARG

GLY

LYS

PRO

GLN

PHE

TYR

LYS

TYR

LEU

8

GLY

ASP

MET

THR

GLY

SER

ARG

THR

CYS

ASP

9

THR

SER

Samples:

sample_1: TgMIC4-apple5, [U-98% 13C; U-98% 15N], 100 – 200 mM; potassium phosphate 50 mM; sodium chloride 100 mM; H20 90%; D20 10%

sample_2: TgMIC4-apple5, [U-98% 13C; U-98% 15N], 100-200 mM; potassium phosphate 50 mM; sodium chloride 100 mM; H20 90%; D20 10%

sample_conditions_1: ionic strength: 0.7 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 800 MHz