BMRB Entry 19841

Name: Solution Structures of active Ptr ToxB and its Inactive Ortholog
Published: 2014-08-04

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PDB ID: 2mm2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19841
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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 Structures of active Ptr ToxB and its Inactive Ortholog

Deposition date:

2014-03-06

Original release date:

2014-08-04

Authors:

Nyarko, Afua; Singarapu, Kiran; Figueroa, Melania; Manning, Viola; Pandelova, Iovanna; Wolpert, Thomas; Ciuffetti, Lynda; Barbar, Elisar

Citation:

Citation: Nyarko, Afua; Singarapu, Kiran; Figueroa, Melania; Manning, Viola; Pandelova, Iovanna; Wolpert, Thomas; Ciuffetti, Lynda; Barbar, Elisar. "Solution NMR Structures of Pyrenophora tritici-repentis ToxB and Its Inactive Homolog Reveal Potential Determinants of Toxin Activity." J. Biol. Chem. 289, 25946-25956 (2014).
PubMed: 25063993

Assembly members:

Assembly members:
entity, polymer, 65 residues, 6623.537 Da.

Natural source:

Natural source: Common Name: Bread wheat Taxonomy ID: 4565 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Triticum aestivum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pCM10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: NCTANILNINEVVIATGCVP AGGNLIIRVGSDHSYLIRAT VSCGLSLNPSQSFINGESLA SGGRC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	192
15N chemical shifts	69
1H chemical shifts	426

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ptr ToxB	1

Entities:

Entity 1, Ptr ToxB 65 residues - 6623.537 Da.

1

ASN

CYS

THR

ALA

ASN

ILE

LEU

ASN

ILE

ASN

2

GLU

VAL

ILE

ALA

THR

GLY

CYS

VAL

PRO

3

ALA

GLY

ASN

LEU

ILE

ARG

VAL

GLY

4

SER

ASP

HIS

SER

TYR

LEU

ILE

ARG

ALA

THR

5

VAL

SER

CYS

GLY

LEU

SER

LEU

ASN

PRO

SER

6

GLN

SER

PHE

ILE

ASN

GLY

GLU

SER

LEU

ALA

7

SER

GLY

ARG

CYS

Samples:

sample_1: D2O 10%; sodium phosphate 10 mM; H2O 90%; entity, [U-13C; U-15N], 0.5 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 273 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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	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

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 700 MHz

PDB	2MM2
GB	AAM00019 AAO49372