BMRB Entry 18334

Name: NMR spatial structure of the trypsin inhibitor BWI-2c from the buckwheat seeds
Published: 2012-05-29

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PDB ID: 2lqx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18334
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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:

NMR spatial structure of the trypsin inhibitor BWI-2c from the buckwheat seeds

Deposition date:

2012-03-19

Original release date:

2012-05-29

Authors:

Mineev, Konstantin; Vassilevski, Alexander; Oparin, Peter; Grishin, Eugene; Egorov, Tsezi

Citation:

Citation: Oparin, Peter; Mineev, Konstantin; Dunaevsky, Yakov; Arseniev, Alexander; Belozersky, Mikhail; Grishin, Eugene; Egorov, Tsezi; Vassilevski, Alexander. "Buckwheat trypsin inhibitor with helical hairpin structure belongs to a new family of plant defence peptides." Biochem. J. 446, 69-77 (2012).
PubMed: 22612157

Assembly members:

Assembly members:
bwi2c, polymer, 41 residues, 5196.967 Da.

Natural source:

Natural source: Common Name: Common Buckwheat Taxonomy ID: 3617 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Fagopyrum esculentum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-32b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
bwi2c: SEKPQQELEECQNVCRMKRW STEMVHRCEKKCEEKFERQQ R

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	21
15N chemical shifts	45
1H chemical shifts	282

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	trypsin inhibitor BWI-2c	1

Entities:

Entity 1, trypsin inhibitor BWI-2c 41 residues - 5196.967 Da.

1

SER

GLU

LYS

PRO

GLN

GLU

LEU

GLU

2

CYS

GLN

ASN

VAL

CYS

ARG

MET

LYS

ARG

TRP

3

SER

THR

GLU

MET

VAL

HIS

ARG

CYS

GLU

LYS

4

LYS

CYS

GLU

LYS

PHE

GLU

ARG

GLN

5

ARG

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HNHB	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

PDB	2LQX
SP	P86794
AlphaFold	P86794

BMRB Entry 18334

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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