BMRB Entry 16540

Name: Solution structure of nasonin-1M
Published: 2012-08-03

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PDB ID: 2kp0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16540
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of nasonin-1M

Deposition date:

2009-10-05

Original release date:

2012-08-03

Authors:

Kouno, Takahide; Tian, Caihuan; Luo, Lan; Zhu, Shunyi; Mizuguchi, Mineyuki

Citation:

Citation: Tian, Caihuan; Kouno, Takahide; Luo, Lan; Mizuguchi, Mineyuki; Zhu, Shunyi. "Not known" .

Assembly members:

Assembly members:
nasonin-1M, polymer, 33 residues, 3654.211 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
nasonin-1M: ACNDRDCSLDCIMKGYNFGK CVRGSCQCRRTSG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	193

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	nasonin-1M	1

Entities:

Entity 1, nasonin-1M 33 residues - 3654.211 Da.

1

ALA

CYS

ASN

ASP

ARG

ASP

CYS

SER

LEU

ASP

2

CYS

ILE

MET

LYS

GLY

TYR

ASN

PHE

GLY

LYS

3

CYS

VAL

ARG

GLY

SER

CYS

GLN

CYS

ARG

4

THR

SER

GLY

Samples:

sample_1: Nasonin-1M0.25 – 0.30 mM; acetic acid, [U-100% 2H], 50 mM; sodium chloride 20 mM; D2O, [U-100% 2H], 5%; H2O 95%

sample_2: Nasonin-1M0.25 – 0.30 mM; acetic acid, [U-100% 2H], 50 mM; sodium chloride 20 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 50 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	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

Software:

xwinnmr, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - peak picking

X-PLOR, Brunger - structure solution

NMR spectrometers:

Bruker Avance 800 MHz