BMRB Entry 19552

Name: Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.
Published: 2014-11-17

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PDB ID: 2mfj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19552
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.

Deposition date:

2013-10-15

Original release date:

2014-11-17

Authors:

Naik, Mandar; Naik, Nandita; Huang, Tai-huang

Citation:

Citation: Naik, Mandar; Naik, Nandita; Kuo, I-Chun; Liao, You-Di; Huang, Tai-huang. "Solution structure of Blo 1 19" .

Assembly members:

Assembly members:
Blo_t_19, polymer, 68 residues, 6945.848 Da.

Natural source:

Natural source: Common Name: Storage mite Taxonomy ID: 40697 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Blomia tropicalis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Blo_t_19: GSALDFTSCARMNDGALGAK VAQAACISSCKFQNCGTGHC ERRGGRPTCVCSRCGNGGGE WPNLPSRG

Data sets:

assigned_chemical_shifts
- Major_Conformer
- Minor_Conformer

Data type	Count
13C chemical shifts	270
15N chemical shifts	82
1H chemical shifts	432

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Blo t 19, major conformer	1
2	Blo t 19, minor conformer	1

Entities:

Entity 1, Blo t 19, major conformer 68 residues - 6945.848 Da.

Residue 1 and 2 represent a non-native tag.

1

GLY

SER

ALA

LEU

ASP

PHE

THR

SER

CYS

ALA

2

ARG

MET

ASN

ASP

GLY

ALA

LEU

GLY

ALA

LYS

3

VAL

ALA

GLN

ALA

CYS

ILE

SER

CYS

4

LYS

PHE

GLN

ASN

CYS

GLY

THR

GLY

HIS

CYS

5

GLU

ARG

GLY

ARG

PRO

THR

CYS

VAL

6

CYS

SER

ARG

CYS

GLY

ASN

GLY

GLU

7

TRP

PRO

ASN

LEU

PRO

SER

ARG

GLY

Samples:

CN: Blo t 19, [U-100% 13C; U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

N: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

Unlabeled: Blo t 19 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

Phage: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; Pf1 phage 15 ± 0.1 mg/ml; H2O 90 ± 0.1 %; D2O 10 ± 0.1 %

Default: pH: 6.0; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	N	isotropic	Default
2D 1H-13C HSQC	CN	isotropic	Default
3D HNCO	CN	isotropic	Default
3D HN(CA)CO	CN	isotropic	Default
3D HNCA	CN	isotropic	Default
3D HNCACB	CN	isotropic	Default
3D CBCA(CO)NH	CN	isotropic	Default
3D HNHA	CN	isotropic	Default
3D HCCH-COSY	CN	isotropic	Default
3D HCCH-TOCSY	CN	isotropic	Default
2D-hbCBcgcdHD	CN	isotropic	Default
2D-hbCBcgcdceHE	CN	isotropic	Default
2D-TOCSY	Unlabeled	isotropic	Default
3D 1H-15N TOCSY	N	isotropic	Default
2D 1H-1H NOESY	Unlabeled	isotropic	Default
3D 1H-13C NOESYHSQC	CN	isotropic	Default
3D 1H-15N NOESYHSQC	CN	isotropic	Default
2D 1H-15N IPAP HSQC	Phage	anisotropic	Default

Software:

TOPSPIN v3.0, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

CYANA v3.9, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

PSVS v1.5, Bhattacharya and Montelione - validation

X-PLOR NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 850 MHz

PDB	2MFJ
GB	AHG97583