BMRB Entry 15345

Name: Solution structure of Blo t 5
Published: 2008-08-06

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PDB ID: 2jrk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15345
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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 of Blo t 5

Deposition date:

2007-06-29

Original release date:

2008-08-06

Authors:

Chan, Siew Leong; Mok, Yu Keung

Citation:

Citation: Chan, Siew Leong; Ong, Tan Ching; Gao, Yun Feng; Tiong, Yuen Sung; Wang, De Yun; Chew, Fook Tim; Mok, Yu Keung. "Nuclear Magnetic Resonance Structure and IgE Epitopes of Blo t 5, a Major Dust Mite Allergen" J. Immunol. 181, 2586-2596 (2008).
PubMed: 18684949

Assembly members:

Assembly members:
Blo_t_5, polymer, 112 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-M

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Blo_t_5: KKDDFRNEFDHLLIEQANHA IEKGEHQLLYLQHQLDELNE NKSKELQEKIIRELDVVCAM IEGAQGALERELKRTDLNIL ERFNYEEAQTLSKILLKDLK ETEQKVKDIQTQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	346
15N chemical shifts	106
1H chemical shifts	518

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Blo t 5	1

Entities:

Entity 1, Blo t 5 112 residues - Formula weight is not available

1

LYS

ASP

PHE

ARG

ASN

GLU

PHE

ASP

2

HIS

LEU

ILE

GLU

GLN

ALA

ASN

HIS

ALA

3

ILE

GLU

LYS

GLY

GLU

HIS

GLN

LEU

TYR

4

LEU

GLN

HIS

GLN

LEU

ASP

GLU

LEU

ASN

GLU

5

ASN

LYS

SER

LYS

GLU

LEU

GLN

GLU

LYS

ILE

6

ILE

ARG

GLU

LEU

ASP

VAL

CYS

ALA

MET

7

ILE

GLU

GLY

ALA

GLN

GLY

ALA

LEU

GLU

ARG

8

GLU

LEU

LYS

ARG

THR

ASP

LEU

ASN

ILE

LEU

9

GLU

ARG

PHE

ASN

TYR

GLU

ALA

GLN

THR

10

LEU

SER

LYS

ILE

LEU

LYS

ASP

LEU

LYS

11

GLU

THR

GLU

GLN

LYS

VAL

LYS

ASP

ILE

GLN

12

THR

GLN

Samples:

C13_N15: Blo t 5, [U-99% 13C; U-99% 15N], 2 mM

C13: Blo t 5, [U-100% 13C], 2 mM

N15: Blo t 5, [U-99% 15N], 2 mM

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	C13_N15	isotropic	sample_conditions_1
3D CBCA(CO)NH	C13_N15	isotropic	sample_conditions_1
3D 1H-13C NOESY	C13	isotropic	sample_conditions_1
3D 1H-15N NOESY	N15	isotropic	sample_conditions_1
2D 1H-15N HSQC	N15	isotropic	sample_conditions_1
3D C(CO)NH	C13_N15	isotropic	sample_conditions_1
3D H(CCO)NH	C13_N15	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 800 MHz

PDB	2JMH 2JRK 2MEY
GB	AAD10850 ABH06351 ABH06352 ABH06353 ABH06354
SP	O96870
AlphaFold	O96870