BMRB Entry 16703

Name: SPI2
Published: 2012-08-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16703

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

SPI2

Deposition date:

2010-02-03

Original release date:

2012-08-03

Authors:

Lenarcic, Martina; Kludkiewicz, Barbara; Nowicka, Ursula; Grzelak, Krystina; Zagorski-Ostoja, Wlodzimierz; Zhukov, Igor

Citation:

Citation: Lenarcic, Martina; Grzelak, Krystina; Zhukov, Igor; Zagorski-Ostoja, Wlodzimierz; Nowicka, Ursula. "High-resolution structure of atypical serine proteinase inhibitors by means of NMR spectroscopy" .

Assembly members:

Assembly members:
spi2, polymer, 45 residues, 5033.501 Da.

Natural source:

Natural source: Common Name: greater wax moth Taxonomy ID: 7137 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Galleria Mellonella

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
spi2: EAAVCTTEWDPVCGKDGKTY SNLCWLNEAGVGLDHEGECH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	111
15N chemical shifts	38
1H chemical shifts	244

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	spi2	1

Entities:

Entity 1, spi2 45 residues - 5033.501 Da.

additional two residues (EA) on N-termini; His-Tag6 on C-termini

1

GLU

ALA

VAL

CYS

THR

GLU

TRP

ASP

2

PRO

VAL

CYS

GLY

LYS

ASP

GLY

LYS

THR

TYR

3

SER

ASN

LEU

CYS

TRP

LEU

ASN

GLU

ALA

GLY

4

VAL

GLY

LEU

ASP

HIS

GLU

GLY

GLU

CYS

HIS

5

HIS

Samples:

sample_1: spi2 1.2 mM; H2O 90%; D2O 10%; NaCl 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 3.5; pressure: 1 atm; temperature: 298 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
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Varian Uniform NMR System 800 MHz
Varian UnityPlus 500 MHz

BMRB	16704 16705 19085
PDB	2M5X 4HGU
GB	AAK48526