BMRB Entry 27492

Name: 1H Chemical Shift Assignments for SG5 variant of Schistocerca gregaria protease inhibitor 2
Published: 2019-02-07

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27492

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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:

1H Chemical Shift Assignments for SG5 variant of Schistocerca gregaria protease inhibitor 2

Deposition date:

2018-05-23

Original release date:

2019-02-07

Authors:

Sebak, Fanni; Bodor, Andrea

Citation:

Citation: Boros, Eszter; Sebak, Fanni; Heja, David; Szakacs, David; Zboray, Katalin; Schlosser, Gitta; Micsonai, Andras; Kardos, Jozsef; Bodor, Andrea; Pal, Gabor. "Directed Evolution of Canonical Loops and Their Swapping between Unrelated Serine Proteinase Inhibitors Disprove the Interscaffolding Additivity Model" J. Mol. Biol. 431, 557-575 (2019).
PubMed: 30543823

Assembly members:

Assembly members:
SGPI-2_variant, polymer, 38 residues, Formula weight is not available

Natural source:

Natural source: Common Name: desert locust Taxonomy ID: 7010 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Schistocerca gregaria

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: M13KO7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SGPI-2_variant: GSGEVTCEPGTTFKDKCNTC RCGSDGKSAGCTFILCPQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	191

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SGPI-2 variant	1

Entities:

Entity 1, SGPI-2 variant 38 residues - Formula weight is not available

'Residues -2 - 0 represent a cloning artifact.

1

GLY

SER

GLY

GLU

VAL

THR

CYS

GLU

PRO

GLY

2

THR

PHE

LYS

ASP

LYS

CYS

ASN

THR

CYS

3

ARG

CYS

GLY

SER

ASP

GLY

LYS

SER

ALA

GLY

4

CYS

THR

PHE

ILE

LEU

CYS

PRO

GLN

Samples:

sample_1: SGPI-2 variant 1 mM; MES 10 mM; sodium chloride 50 mM; DSS 5 uL

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz